 Entering Gaussian System, Link 0=g16
 Input=12_L-valine_conformer17_STD_M11_def2SVPD.in
 Output=12_L-valine_conformer17_STD_M11_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_def2SVPD/Gau-218320.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    218321.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=12_L-valine_conformer17_STD_M11_def2SVPD
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 21:48:20 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "12_L-valine_conformer17_STD_M11_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.242060000000     -0.691046000000      1.347213000000
  C                                                -1.257801000000     -0.369797000000     -0.148854000000
  C                                                 0.160880000000     -0.338750000000     -0.765763000000
  C                                                 1.057636000000      0.659612000000     -0.017001000000
  O                                                 1.945020000000      0.084751000000      0.805432000000
  C                                                -2.029648000000      0.917604000000     -0.430520000000
  N                                                 0.777212000000     -1.672850000000     -0.709690000000
  O                                                 0.958586000000      1.851003000000     -0.134549000000
  H                                                 0.071726000000      0.035438000000     -1.788895000000
  H                                                -1.773582000000     -1.187043000000     -0.668620000000
  H                                                 1.831378000000     -0.883345000000      0.671434000000
  H                                                 0.080206000000     -2.406377000000     -0.729845000000
  H                                                 1.409658000000     -1.824289000000     -1.485630000000
  H                                                -3.047160000000      0.833387000000     -0.044887000000
  H                                                -1.550296000000      1.774112000000      0.042015000000
  H                                                -2.088446000000      1.119506000000     -1.501518000000
  H                                                -2.261952000000     -0.810611000000      1.715282000000
  H                                                -0.697350000000     -1.610398000000      1.566250000000
  H                                                -0.777550000000      0.117788000000      1.914721000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          14          16           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  14.0030740  15.9949146   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           2           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   4.5500000   5.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   7.0000000   8.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 21:48:21 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.242060   -0.691046    1.347213
      2          6           0       -1.257801   -0.369797   -0.148854
      3          6           0        0.160880   -0.338750   -0.765763
      4          6           0        1.057636    0.659612   -0.017001
      5          8           0        1.945020    0.084751    0.805432
      6          6           0       -2.029648    0.917604   -0.430520
      7          7           0        0.777212   -1.672850   -0.709690
      8          8           0        0.958586    1.851003   -0.134549
      9          1           0        0.071726    0.035438   -1.788895
     10          1           0       -1.773582   -1.187043   -0.668620
     11          1           0        1.831378   -0.883345    0.671434
     12          1           0        0.080206   -2.406377   -0.729845
     13          1           0        1.409658   -1.824289   -1.485630
     14          1           0       -3.047160    0.833387   -0.044887
     15          1           0       -1.550296    1.774112    0.042015
     16          1           0       -2.088446    1.119506   -1.501518
     17          1           0       -2.261952   -0.810611    1.715282
     18          1           0       -0.697350   -1.610398    1.566250
     19          1           0       -0.777550    0.117788    1.914721
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.530250   0.000000
     3  C    2.560668   1.547319   0.000000
     4  C    2.995657   2.537384   1.536731   0.000000
     5  O    3.324585   3.372735   2.414780   1.339519   0.000000
     6  C    2.523566   1.527247   2.547396   3.125521   4.244904
     7  N    3.045037   2.480678   1.470657   2.449252   2.597794
     8  O    3.674299   3.137599   2.414495   1.201266   2.230754
     9  H    3.476922   2.149789   1.093053   2.121608   3.200343
    10  H    2.142921   1.097305   2.114517   3.442461   4.197415
    11  H    3.152725   3.237226   2.269952   1.858315   0.983910
    12  H    3.000820   2.505089   2.069512   3.296029   3.469917
    13  H    4.042381   3.319315   2.069899   2.906984   3.029853
    14  H    2.742303   2.158765   3.490715   4.108567   5.119117
    15  H    2.806342   2.172172   2.836338   2.836706   3.956511
    16  H    3.479905   2.176625   2.779805   3.509006   4.760418
    17  H    1.090848   2.162785   3.499765   4.022689   4.396375
    18  H    1.090823   2.189698   2.791403   3.277134   3.230247
    19  H    1.091809   2.174103   2.876469   2.719013   2.940068
                    6          7          8          9         10
     6  C    0.000000
     7  N    3.829732   0.000000
     8  O    3.144579   3.575084   0.000000
     9  H    2.653144   2.140243   2.611447   0.000000
    10  H    2.133495   2.596968   4.120643   2.480854   0.000000
    11  H    4.400596   1.908425   2.981281   3.161290   3.857942
    12  H    3.948408   1.012070   4.387620   2.661601   2.219697
    13  H    4.523280   1.012425   3.941657   2.310977   3.347627
    14  H    1.091392   4.620499   4.133955   3.661384   2.468437
    15  H    1.089346   4.226571   2.516262   3.001029   3.053408
    16  H    1.091448   4.078755   3.418786   2.433954   2.472454
    17  H    2.764988   3.982520   4.569237   4.294311   2.462356
    18  H    3.486101   2.712588   4.197158   3.815397   2.516376
    19  H    2.776258   3.537118   3.196515   3.800635   3.060770
                   11         12         13         14         15
    11  H    0.000000
    12  H    2.711054   0.000000
    13  H    2.390847   1.636301   0.000000
    14  H    5.221151   4.554740   5.385370   0.000000
    15  H    4.346719   4.553108   4.903419   1.770061   0.000000
    16  H    4.908987   4.210746   4.571970   1.767136   1.760854
    17  H    4.224957   3.743103   4.975349   2.533274   3.160233
    18  H    2.779167   2.551515   3.714728   3.753592   3.808637
    19  H    3.058518   3.755114   4.485301   3.082738   2.616787
                   16         17         18         19
    16  H    0.000000
    17  H    3.755430   0.000000
    18  H    4.335750   1.763476   0.000000
    19  H    3.793755   1.762144   1.764792   0.000000
 Stoichiometry    C5H11NO2
 Framework group  C1[X(C5H11NO2)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.84D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.242060   -0.691046    1.347213
      2          6           0       -1.257801   -0.369797   -0.148854
      3          6           0        0.160880   -0.338750   -0.765763
      4          6           0        1.057636    0.659612   -0.017001
      5          8           0        1.945020    0.084751    0.805432
      6          6           0       -2.029648    0.917604   -0.430520
      7          7           0        0.777212   -1.672850   -0.709690
      8          8           0        0.958586    1.851003   -0.134549
      9          1           0        0.071726    0.035438   -1.788895
     10          1           0       -1.773582   -1.187043   -0.668620
     11          1           0        1.831378   -0.883345    0.671434
     12          1           0        0.080206   -2.406377   -0.729845
     13          1           0        1.409658   -1.824289   -1.485630
     14          1           0       -3.047160    0.833387   -0.044887
     15          1           0       -1.550296    1.774112    0.042015
     16          1           0       -2.088446    1.119506   -1.501518
     17          1           0       -2.261952   -0.810611    1.715282
     18          1           0       -0.697350   -1.610398    1.566250
     19          1           0       -0.777550    0.117788    1.914721
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.4712723           1.7885275           1.4334947
 Leave Link  202 at Thu Aug 12 21:48:21 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     11     12     13     14     15     16     17     18
 Centers:      19
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 5 1.00
     Exponent=  1.7128415853D+03 Coefficients= -5.3934125305D-03
     Exponent=  2.5764812677D+02 Coefficients= -4.0221581118D-02
     Exponent=  5.8458245853D+01 Coefficients= -1.7931144990D-01
     Exponent=  1.6198367905D+01 Coefficients= -4.6376317823D-01
     Exponent=  5.0052600809D+00 Coefficients= -4.4171422662D-01
 S 1 1.00
     Exponent=  5.8731856571D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.8764592253D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.6171241529D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.3571470233D+01 Coefficients= -4.0072398852D-02
     Exponent=  2.9257372874D+00 Coefficients= -2.1807045028D-01
     Exponent=  7.9927750754D-01 Coefficients= -5.1294466049D-01
 P 1 1.00
     Exponent=  2.1954348034D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.0000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.6697708112D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      8
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   270 symmetry adapted cartesian basis functions of A   symmetry.
 There are   254 symmetry adapted basis functions of A   symmetry.
   254 basis functions,   372 primitive gaussians,   270 cartesian basis functions
    32 alpha electrons       32 beta electrons
       nuclear repulsion energy       413.2608280726 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Aug 12 21:48:21 2021, MaxMem=  5368709120 cpu:               4.5 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   254 RedAO= T EigKep=  4.19D-05  NBF=   254
 NBsUse=   254 1.00D-06 EigRej= -1.00D+00 NBFU=   254
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   270   270   270   270   270 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Thu Aug 12 21:48:22 2021, MaxMem=  5368709120 cpu:               1.8 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 21:48:22 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "12_L-valine_conformer17_STD_M11_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 21:48:22 2021, MaxMem=  5368709120 cpu:               1.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368558415 LenY=  5368485074
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -401.870848301150    
 DIIS: error= 3.70D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -401.870848301150     IErMin= 1 ErrMin= 3.70D-03
 ErrMax= 3.70D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.78D-02 BMatP= 1.78D-02
 IDIUse=3 WtCom= 9.63D-01 WtEn= 3.70D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.454 Goal=   None    Shift=    0.000
 GapD=    0.454 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=5.60D-03 MaxDP=2.52D-01              OVMax= 1.97D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.55D-03    CP:  1.04D+00
 E= -401.888427328049     Delta-E=       -0.017579026899 Rises=F Damp=F
 DIIS: error= 1.08D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -401.888427328049     IErMin= 2 ErrMin= 1.08D-03
 ErrMax= 1.08D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.47D-04 BMatP= 1.78D-02
 IDIUse=3 WtCom= 9.89D-01 WtEn= 1.08D-02
 Coeff-Com: -0.115D-02 0.100D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.114D-02 0.100D+01
 Gap=     0.421 Goal=   None    Shift=    0.000
 RMSDP=1.17D-03 MaxDP=5.27D-02 DE=-1.76D-02 OVMax= 9.85D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  6.92D-04    CP:  1.05D+00  1.17D+00
 E= -401.889126369278     Delta-E=       -0.000699041229 Rises=F Damp=F
 DIIS: error= 9.71D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -401.889126369278     IErMin= 3 ErrMin= 9.71D-04
 ErrMax= 9.71D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.36D-04 BMatP= 9.47D-04
 IDIUse=3 WtCom= 9.90D-01 WtEn= 9.71D-03
 Coeff-Com: -0.623D-01 0.485D+00 0.578D+00
 Coeff-En:   0.000D+00 0.328D-01 0.967D+00
 Coeff:     -0.617D-01 0.480D+00 0.581D+00
 Gap=     0.414 Goal=   None    Shift=    0.000
 RMSDP=1.96D-04 MaxDP=9.15D-03 DE=-6.99D-04 OVMax= 4.70D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.37D-04    CP:  1.05D+00  1.19D+00  9.79D-01
 E= -401.889613401476     Delta-E=       -0.000487032198 Rises=F Damp=F
 DIIS: error= 1.94D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -401.889613401476     IErMin= 4 ErrMin= 1.94D-04
 ErrMax= 1.94D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.22D-05 BMatP= 7.36D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.94D-03
 Coeff-Com: -0.166D-01 0.533D-01 0.151D+00 0.812D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.166D-01 0.532D-01 0.151D+00 0.813D+00
 Gap=     0.413 Goal=   None    Shift=    0.000
 RMSDP=7.21D-05 MaxDP=2.36D-03 DE=-4.87D-04 OVMax= 1.29D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  5.36D-05    CP:  1.05D+00  1.20D+00  1.03D+00  1.15D+00
 E= -401.889634678884     Delta-E=       -0.000021277407 Rises=F Damp=F
 DIIS: error= 9.03D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -401.889634678884     IErMin= 5 ErrMin= 9.03D-05
 ErrMax= 9.03D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.09D-06 BMatP= 2.22D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.209D-02-0.438D-01-0.269D-01 0.328D+00 0.741D+00
 Coeff:      0.209D-02-0.438D-01-0.269D-01 0.328D+00 0.741D+00
 Gap=     0.413 Goal=   None    Shift=    0.000
 RMSDP=2.56D-05 MaxDP=7.64D-04 DE=-2.13D-05 OVMax= 7.63D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.17D-05    CP:  1.05D+00  1.20D+00  1.04D+00  1.19D+00  1.06D+00
 E= -401.889639441135     Delta-E=       -0.000004762251 Rises=F Damp=F
 DIIS: error= 2.60D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -401.889639441135     IErMin= 6 ErrMin= 2.60D-05
 ErrMax= 2.60D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.26D-07 BMatP= 5.09D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.260D-02-0.258D-01-0.281D-01 0.773D-01 0.345D+00 0.629D+00
 Coeff:      0.260D-02-0.258D-01-0.281D-01 0.773D-01 0.345D+00 0.629D+00
 Gap=     0.413 Goal=   None    Shift=    0.000
 RMSDP=7.56D-06 MaxDP=3.44D-04 DE=-4.76D-06 OVMax= 2.44D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  6.10D-06    CP:  1.05D+00  1.20D+00  1.05D+00  1.21D+00  1.10D+00
                    CP:  1.12D+00
 E= -401.889640061243     Delta-E=       -0.000000620108 Rises=F Damp=F
 DIIS: error= 6.66D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -401.889640061243     IErMin= 7 ErrMin= 6.66D-06
 ErrMax= 6.66D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.58D-08 BMatP= 7.26D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.418D-03-0.113D-02-0.393D-02-0.255D-01-0.881D-02 0.175D+00
 Coeff-Com:  0.864D+00
 Coeff:      0.418D-03-0.113D-02-0.393D-02-0.255D-01-0.881D-02 0.175D+00
 Coeff:      0.864D+00
 Gap=     0.413 Goal=   None    Shift=    0.000
 RMSDP=4.74D-06 MaxDP=1.77D-04 DE=-6.20D-07 OVMax= 1.07D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.84D-06    CP:  1.05D+00  1.20D+00  1.05D+00  1.21D+00  1.13D+00
                    CP:  1.24D+00  1.23D+00
 E= -401.889640132338     Delta-E=       -0.000000071095 Rises=F Damp=F
 DIIS: error= 2.65D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -401.889640132338     IErMin= 8 ErrMin= 2.65D-06
 ErrMax= 2.65D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.85D-09 BMatP= 4.58D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.158D-03 0.243D-02 0.211D-02-0.151D-01-0.374D-01-0.278D-01
 Coeff-Com:  0.214D+00 0.862D+00
 Coeff:     -0.158D-03 0.243D-02 0.211D-02-0.151D-01-0.374D-01-0.278D-01
 Coeff:      0.214D+00 0.862D+00
 Gap=     0.413 Goal=   None    Shift=    0.000
 RMSDP=1.76D-06 MaxDP=7.82D-05 DE=-7.11D-08 OVMax= 4.21D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  9.12D-07    CP:  1.05D+00  1.20D+00  1.05D+00  1.21D+00  1.13D+00
                    CP:  1.30D+00  1.32D+00  1.18D+00
 E= -401.889640140247     Delta-E=       -0.000000007909 Rises=F Damp=F
 DIIS: error= 6.78D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -401.889640140247     IErMin= 9 ErrMin= 6.78D-07
 ErrMax= 6.78D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.89D-10 BMatP= 4.85D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.880D-04 0.897D-03 0.110D-02-0.283D-02-0.112D-01-0.297D-01
 Coeff-Com: -0.195D-01 0.287D+00 0.774D+00
 Coeff:     -0.880D-04 0.897D-03 0.110D-02-0.283D-02-0.112D-01-0.297D-01
 Coeff:     -0.195D-01 0.287D+00 0.774D+00
 Gap=     0.413 Goal=   None    Shift=    0.000
 RMSDP=6.17D-07 MaxDP=5.09D-05 DE=-7.91D-09 OVMax= 1.54D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  3.28D-07    CP:  1.05D+00  1.20D+00  1.05D+00  1.21D+00  1.13D+00
                    CP:  1.31D+00  1.36D+00  1.30D+00  1.17D+00
 E= -401.889640141241     Delta-E=       -0.000000000994 Rises=F Damp=F
 DIIS: error= 2.66D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -401.889640141241     IErMin=10 ErrMin= 2.66D-07
 ErrMax= 2.66D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.02D-11 BMatP= 6.89D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.382D-05-0.692D-04 0.171D-04 0.110D-02 0.222D-02-0.345D-02
 Coeff-Com: -0.276D-01-0.431D-01 0.174D+00 0.897D+00
 Coeff:     -0.382D-05-0.692D-04 0.171D-04 0.110D-02 0.222D-02-0.345D-02
 Coeff:     -0.276D-01-0.431D-01 0.174D+00 0.897D+00
 Gap=     0.413 Goal=   None    Shift=    0.000
 RMSDP=2.17D-07 MaxDP=1.11D-05 DE=-9.94D-10 OVMax= 5.66D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.04D-07    CP:  1.05D+00  1.20D+00  1.05D+00  1.21D+00  1.13D+00
                    CP:  1.31D+00  1.37D+00  1.35D+00  1.28D+00  1.10D+00
 E= -401.889640141373     Delta-E=       -0.000000000132 Rises=F Damp=F
 DIIS: error= 5.79D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -401.889640141373     IErMin=11 ErrMin= 5.79D-08
 ErrMax= 5.79D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.57D-12 BMatP= 6.02D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.871D-05-0.105D-03-0.113D-03 0.501D-03 0.158D-02 0.232D-02
 Coeff-Com: -0.248D-02-0.384D-01-0.482D-01 0.145D+00 0.940D+00
 Coeff:      0.871D-05-0.105D-03-0.113D-03 0.501D-03 0.158D-02 0.232D-02
 Coeff:     -0.248D-02-0.384D-01-0.482D-01 0.145D+00 0.940D+00
 Gap=     0.413 Goal=   None    Shift=    0.000
 RMSDP=7.69D-08 MaxDP=4.01D-06 DE=-1.32D-10 OVMax= 1.83D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  3.08D-08    CP:  1.05D+00  1.20D+00  1.05D+00  1.21D+00  1.13D+00
                    CP:  1.31D+00  1.37D+00  1.36D+00  1.33D+00  1.19D+00
                    CP:  1.24D+00
 E= -401.889640141364     Delta-E=        0.000000000009 Rises=F Damp=F
 DIIS: error= 1.95D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -401.889640141373     IErMin=12 ErrMin= 1.95D-08
 ErrMax= 1.95D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.32D-13 BMatP= 4.57D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.217D-05-0.170D-04-0.249D-04 0.125D-04 0.128D-03 0.666D-03
 Coeff-Com:  0.172D-02-0.407D-02-0.218D-01-0.466D-01 0.181D+00 0.889D+00
 Coeff:      0.217D-05-0.170D-04-0.249D-04 0.125D-04 0.128D-03 0.666D-03
 Coeff:      0.172D-02-0.407D-02-0.218D-01-0.466D-01 0.181D+00 0.889D+00
 Gap=     0.413 Goal=   None    Shift=    0.000
 RMSDP=1.87D-08 MaxDP=6.28D-07 DE= 9.09D-12 OVMax= 4.44D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  9.82D-09    CP:  1.05D+00  1.20D+00  1.05D+00  1.21D+00  1.13D+00
                    CP:  1.31D+00  1.37D+00  1.36D+00  1.34D+00  1.20D+00
                    CP:  1.32D+00  1.21D+00
 E= -401.889640141373     Delta-E=       -0.000000000009 Rises=F Damp=F
 DIIS: error= 8.77D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=11 EnMin= -401.889640141373     IErMin=13 ErrMin= 8.77D-09
 ErrMax= 8.77D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.04D-14 BMatP= 4.32D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.494D-06 0.827D-05 0.775D-05-0.531D-04-0.154D-03-0.125D-03
 Coeff-Com:  0.715D-03 0.349D-02 0.799D-03-0.295D-01-0.674D-01 0.222D+00
 Coeff-Com:  0.870D+00
 Coeff:     -0.494D-06 0.827D-05 0.775D-05-0.531D-04-0.154D-03-0.125D-03
 Coeff:      0.715D-03 0.349D-02 0.799D-03-0.295D-01-0.674D-01 0.222D+00
 Coeff:      0.870D+00
 Gap=     0.413 Goal=   None    Shift=    0.000
 RMSDP=7.59D-09 MaxDP=2.68D-07 DE=-8.53D-12 OVMax= 1.49D-07

 SCF Done:  E(RM11) =  -401.889640141     A.U. after   13 cycles
            NFock= 13  Conv=0.76D-08     -V/T= 2.0115
 KE= 3.973211869069D+02 PE=-1.762466645070D+03 EE= 5.499949899495D+02
 Leave Link  502 at Thu Aug 12 21:49:44 2021, MaxMem=  5368709120 cpu:             653.2 elap:              81.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   254
 NBasis=   254 NAE=    32 NBE=    32 NFC=     0 NFV=     0
 NROrb=    254 NOA=    32 NOB=    32 NVA=   222 NVB=   222

 **** Warning!!: The largest alpha MO coefficient is  0.30631780D+02

 Leave Link  801 at Thu Aug 12 21:49:44 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5761 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.18D-13 8.33D-09 XBig12= 1.00D+00 2.03D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.18D-13 8.33D-09 XBig12= 1.42D-01 5.34D-02.
     11 vectors produced by pass  2 Test12= 1.18D-13 8.33D-09 XBig12= 1.98D-02 3.24D-02.
     11 vectors produced by pass  3 Test12= 1.18D-13 8.33D-09 XBig12= 1.69D-03 7.88D-03.
     11 vectors produced by pass  4 Test12= 1.18D-13 8.33D-09 XBig12= 6.21D-05 1.42D-03.
     11 vectors produced by pass  5 Test12= 1.18D-13 8.33D-09 XBig12= 2.15D-06 2.53D-04.
     11 vectors produced by pass  6 Test12= 1.18D-13 8.33D-09 XBig12= 6.94D-08 5.57D-05.
     11 vectors produced by pass  7 Test12= 1.18D-13 8.33D-09 XBig12= 1.83D-09 9.67D-06.
     11 vectors produced by pass  8 Test12= 1.18D-13 8.33D-09 XBig12= 3.57D-11 1.12D-06.
     10 vectors produced by pass  9 Test12= 1.18D-13 8.33D-09 XBig12= 5.92D-13 1.24D-07.
      4 vectors produced by pass 10 Test12= 1.18D-13 8.33D-09 XBig12= 1.03D-14 1.12D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.13D-14
 Solved reduced A of dimension   113 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.799369D+02
      2 -0.264657D+01  0.815930D+02
      3  0.165516D+01 -0.154807D+01  0.720449D+02
 Isotropic polarizability for W=    0.088559       77.86 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.769307D+02  0.993509D+01  0.207440D+02
      2   0.432184D+02 -0.710609D+01 -0.146194D+02
      3   0.337123D+02 -0.282900D+01 -0.612464D+01
      4  -0.115552D+02 -0.252272D+02  0.119627D+02
      5   0.156140D+02  0.902854D+01 -0.519211D+02
      6   0.117652D+02 -0.110054D+02 -0.194577D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.182826D+01  0.172480D+01  0.748240D+01
      2   0.103598D+02  0.192478D+01 -0.274416D+02
      3  -0.994397D+01  0.138512D+02  0.198806D+00
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.293420D+01  0.361400D+01  0.166287D+02
      2   0.513007D+01  0.197512D+00 -0.856334D+02
      3  -0.214903D+02  0.684456D+02  0.273669D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.328242D+00 -0.192814D+01  0.769218D-02
      2  -0.192814D+01 -0.765349D+00  0.124912D+01
      3   0.769218D-02  0.124912D+01  0.732431D+00
 OR G Eigenvalues:    -2.5414     0.6110     2.2257  Iso=    -0.0984
 Eigenvectors:
   (1)   0.532062   0.790663  -0.302923
   (2)   0.582540  -0.082201   0.808635
   (3)   0.614457  -0.606708  -0.504329
 w=    0.088559 a.u., Optical Rotation Beta=     -0.0984 au.
 Molar Mass =    117.1474 grams/mole, [Alpha] ( 5145.0 A) =      -42.61 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   32385 ScalPx= 4.86D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   32385 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 8.01D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.97D-14 2.78D-09 XBig12= 1.00D+00 2.93D-01.
     30 vectors produced by pass  1 Test12= 1.97D-14 2.78D-09 XBig12= 5.53D-02 2.99D-02.
     30 vectors produced by pass  2 Test12= 1.97D-14 2.78D-09 XBig12= 1.96D-03 6.11D-03.
     30 vectors produced by pass  3 Test12= 1.97D-14 2.78D-09 XBig12= 2.67D-05 7.97D-04.
     30 vectors produced by pass  4 Test12= 1.97D-14 2.78D-09 XBig12= 3.46D-07 6.35D-05.
     30 vectors produced by pass  5 Test12= 1.97D-14 2.78D-09 XBig12= 3.88D-09 5.99D-06.
     30 vectors produced by pass  6 Test12= 1.97D-14 2.78D-09 XBig12= 3.03D-11 6.77D-07.
     30 vectors produced by pass  7 Test12= 1.97D-14 2.78D-09 XBig12= 2.26D-13 6.47D-08.
      5 vectors produced by pass  8 Test12= 1.97D-14 2.78D-09 XBig12= 1.67D-15 4.12D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.89D-15
 Solved reduced A of dimension   245 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   32385 ScalPx= 1.72D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   32385 ScalPx= 1.72D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   32385 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.15D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.799369D+02 -0.264657D+01  0.165516D+01
      2  -0.264657D+01  0.815930D+02 -0.154807D+01
      3   0.165516D+01 -0.154807D+01  0.720449D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.182826D+01  0.172480D+01  0.748240D+01
      2   0.103598D+02  0.192478D+01 -0.274416D+02
      3  -0.994397D+01  0.138512D+02  0.198806D+00
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.769307D+02  0.993509D+01  0.207440D+02
      2   0.432184D+02 -0.710609D+01 -0.146194D+02
      3   0.337123D+02 -0.282900D+01 -0.612464D+01
      4  -0.115552D+02 -0.252272D+02  0.119627D+02
      5   0.156140D+02  0.902854D+01 -0.519211D+02
      6   0.117652D+02 -0.110054D+02 -0.194577D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.517894D+01  0.153701D+01 -0.406865D+01  0.113333D+01 -0.353042D+01
      2   0.153701D+01 -0.357167D+01 -0.745309D+00 -0.353042D+01  0.164242D+01
      3  -0.406865D+01 -0.745309D+00  0.276834D+00 -0.478002D+00 -0.288602D+01
                 6             7             8             9            10 
      1  -0.478002D+00 -0.322627D+01 -0.561551D+00 -0.143599D+00 -0.477980D+01
      2  -0.288602D+01 -0.561551D+00 -0.220897D+01 -0.228349D+01 -0.203570D+00
      3  -0.185964D+01 -0.143599D+00 -0.228349D+01  0.262125D+01  0.336420D+01
                11            12            13            14            15 
      1  -0.203570D+00  0.336420D+01  0.839235D+00  0.449254D+01  0.802840D+00
      2   0.373278D+01  0.811871D+00  0.449254D+01  0.129796D+01  0.306028D+01
      3   0.811871D+00  0.275615D+00  0.802840D+00  0.306028D+01  0.284375D+01
                16            17            18            19            20 
      1   0.458950D+01  0.100973D+01  0.269563D+00  0.472437D+01 -0.365505D-01
      2   0.100973D+01  0.287498D+01  0.346597D+01 -0.365505D-01 -0.190133D+01
      3   0.269563D+00  0.346597D+01 -0.362044D+01 -0.213338D+01 -0.119912D+01
                21            22            23            24            25 
      1  -0.213338D+01  0.527741D-01 -0.267100D+01 -0.111710D+01 -0.255956D+01
      2  -0.119912D+01 -0.267100D+01  0.181430D+00  0.176308D-01 -0.139569D+01
      3   0.584052D+00 -0.111710D+01  0.176308D-01 -0.263581D+01  0.107045D+01
                26            27            28            29            30 
      1  -0.139569D+01  0.107045D+01  0.397423D+00  0.605125D+00  0.314348D+00
      2  -0.532428D+00 -0.298188D+01  0.605125D+00  0.202615D+01  0.102229D+01
      3  -0.298188D+01  0.441456D+01  0.314348D+00  0.102229D+01  0.481209D+00
                31            32            33            34            35 
      1  -0.108737D+01  0.421344D+00  0.850104D+00 -0.541086D+00  0.113808D+01
      2   0.421344D+00 -0.529721D+01  0.141453D+01  0.113808D+01  0.188900D+01
      3   0.850104D+00  0.141453D+01  0.633924D+00 -0.951870D-01  0.122194D+01
                36            37            38            39            40 
      1  -0.951870D-01  0.521239D+01 -0.784499D+00  0.195816D+01  0.704874D+00
      2   0.122194D+01 -0.784499D+00  0.523894D+00  0.971243D-01  0.183614D+01
      3  -0.893932D-01  0.195816D+01  0.971243D-01  0.124023D+01  0.123543D+01
                41            42            43            44            45 
      1   0.183614D+01  0.123543D+01  0.248586D+01  0.120778D+00  0.218221D+01
      2   0.342839D+01  0.186578D+01  0.120778D+00  0.658785D+00 -0.564627D+00
      3   0.186578D+01  0.111777D+01  0.218221D+01 -0.564627D+00  0.328464D+01
                46            47            48            49            50 
      1   0.584419D+01  0.297176D+00 -0.288125D+01  0.101697D+01 -0.336090D+01
      2   0.297176D+00 -0.326517D+01 -0.361105D+00 -0.336090D+01 -0.538814D+00
      3  -0.288125D+01 -0.361105D+00  0.366625D+00 -0.586046D+00 -0.201421D+01
                51            52            53            54            55 
      1  -0.586046D+00 -0.343281D+01 -0.445986D+00  0.109501D+01  0.959651D+00
      2  -0.201421D+01 -0.445986D+00 -0.164774D+01 -0.273293D+01  0.559179D+00
      3  -0.206143D+01  0.109501D+01 -0.273293D+01  0.613146D+01  0.198166D+01
                56            57            58            59            60 
      1   0.559179D+00  0.198166D+01  0.290566D+00  0.339280D+01 -0.275384D-01
      2   0.341727D+01  0.152629D+00  0.339280D+01 -0.676680D+00  0.878292D+00
      3   0.152629D+00 -0.197714D+01 -0.275384D-01  0.878292D+00  0.689761D+00
                61            62            63            64            65 
      1   0.290214D+01 -0.100843D+01 -0.237991D+01 -0.981815D+00  0.288202D+01
      2  -0.100843D+01  0.196430D+01  0.913063D+00  0.288202D+01  0.311143D+00
      3  -0.237991D+01  0.913063D+00  0.180885D+01 -0.499892D+00 -0.344190D+00
                66            67            68            69            70 
      1  -0.499892D+00  0.395225D+01  0.951351D+00 -0.477624D-01 -0.357436D+00
      2  -0.344190D+00  0.951351D+00  0.132126D+02 -0.138174D+01 -0.414720D+00
      3  -0.260680D+00 -0.477624D-01 -0.138174D+01  0.209761D+01  0.228784D+00
                71            72            73            74            75 
      1  -0.414720D+00  0.228784D+00 -0.120221D+01  0.544025D+00 -0.955895D+00
      2  -0.775292D+00  0.262276D+01  0.544025D+00  0.689016D-02  0.150467D+00
      3   0.262276D+01 -0.863147D+00 -0.955895D+00  0.150467D+00 -0.297054D+00
                76            77            78            79            80 
      1   0.708457D+00  0.120115D+00  0.156776D+00 -0.121733D+01  0.469639D+00
      2   0.120115D+00  0.127714D+01 -0.164719D+01  0.469639D+00 -0.183658D+01
      3   0.156776D+00 -0.164719D+01  0.192418D+01 -0.104910D+00  0.170585D+01
                81            82            83            84            85 
      1  -0.104910D+00 -0.234198D+01 -0.175192D+01 -0.175066D+01 -0.230878D+01
      2   0.170585D+01 -0.175192D+01 -0.236918D+01 -0.792250D+00 -0.256634D+01
      3  -0.779653D+01 -0.175066D+01 -0.792250D+00 -0.127213D+01 -0.822717D+00
                86            87            88            89            90 
      1  -0.256634D+01 -0.822717D+00 -0.220205D+01 -0.795480D+00 -0.127368D+01
      2  -0.512995D+01 -0.221719D+01 -0.795480D+00 -0.226111D+01 -0.219688D+01
      3  -0.221719D+01 -0.216940D+01 -0.127368D+01 -0.219688D+01 -0.202580D+01
                91            92            93            94            95 
      1   0.985823D+00 -0.705710D+00 -0.514487D-01 -0.228486D+01 -0.126404D+00
      2  -0.705710D+00 -0.924449D-01 -0.607570D+00 -0.126404D+00 -0.481474D+01
      3  -0.514487D-01 -0.607570D+00  0.208507D-01 -0.165313D+01 -0.583201D+00
                96            97            98            99           100 
      1  -0.165313D+01 -0.161884D-01 -0.691601D+00 -0.791728D-01 -0.214093D+01
      2  -0.583201D+00 -0.691601D+00 -0.314812D+00 -0.888728D+00 -0.172880D+01
      3  -0.220454D+01 -0.791728D-01 -0.888728D+00  0.634936D+00 -0.149413D-01
               101           102           103           104           105 
      1  -0.172880D+01 -0.149413D-01 -0.205029D+01 -0.191535D+01 -0.224158D+00
      2  -0.375048D+01 -0.588815D+00 -0.191535D+01 -0.609680D+01 -0.107041D+01
      3  -0.588815D+00 -0.589582D+00 -0.224158D+00 -0.107041D+01 -0.119084D+01
               106           107           108           109           110 
      1   0.169876D+00  0.513262D-02  0.124751D+00  0.351059D+01 -0.159118D+01
      2   0.513262D-02 -0.566130D+00 -0.733977D+00 -0.159118D+01  0.155746D+01
      3   0.124751D+00 -0.733977D+00 -0.243503D+00 -0.229828D+01  0.118780D+01
               111           112           113           114           115 
      1  -0.229828D+01 -0.710888D+00  0.969620D+00  0.602308D+00 -0.296639D+01
      2   0.118780D+01  0.969620D+00 -0.140648D+01 -0.115886D+01  0.153068D+01
      3   0.294022D+01  0.602308D+00 -0.115886D+01 -0.976315D+00  0.293001D+01
               116           117           118           119           120 
      1   0.153068D+01  0.293001D+01 -0.100962D+02  0.133717D+01  0.163135D+01
      2  -0.196198D+01 -0.199391D+01  0.133717D+01 -0.114470D+01 -0.116962D-01
      3  -0.199391D+01 -0.367152D+01  0.163135D+01 -0.116962D-01 -0.150145D+01
               121           122           123           124           125 
      1  -0.454798D+00 -0.889250D+00  0.469776D-01  0.273074D+01 -0.415704D+00
      2  -0.889250D+00  0.170290D+00  0.540873D+00 -0.415704D+00  0.760972D+00
      3   0.469776D-01  0.540873D+00 -0.538475D-01 -0.171848D+01  0.402891D+00
               126           127           128           129           130 
      1  -0.171848D+01  0.122850D+01  0.744844D+00  0.813049D+00  0.144489D+01
      2   0.402891D+00  0.744844D+00  0.178529D+01  0.343806D+00  0.691640D+00
      3   0.524133D+00  0.813049D+00  0.343806D+00  0.702959D+00  0.340764D+00
               131           132           133           134           135 
      1   0.691640D+00  0.340764D+00  0.127057D+01  0.909158D-01  0.197788D+00
      2   0.530582D+01  0.131775D+01  0.909158D-01  0.216749D+01  0.155067D+01
      3   0.131775D+01  0.158975D+01  0.197788D+00  0.155067D+01  0.741495D+00
               136           137           138           139           140 
      1  -0.109589D+01  0.420936D+00 -0.103599D+01  0.155371D+00 -0.866045D-01
      2   0.420936D+00  0.170633D+00  0.248505D+00 -0.866045D-01  0.123843D+01
      3  -0.103599D+01  0.248505D+00 -0.653810D+00  0.396033D+00 -0.133779D+01
               141           142           143           144           145 
      1   0.396033D+00 -0.170711D+01  0.860816D+00 -0.165059D+01 -0.777011D+01
      2  -0.133779D+01  0.860816D+00 -0.195443D+01  0.246118D+01 -0.119692D+01
      3   0.143234D+01 -0.165059D+01  0.246118D+01 -0.834137D+01  0.359111D+01
               146           147           148           149           150 
      1  -0.119692D+01  0.359111D+01 -0.889242D+00 -0.899753D+00  0.430796D+00
      2  -0.104440D+01  0.771446D+00 -0.899753D+00 -0.844950D+00  0.100467D+01
      3   0.771446D+00 -0.311789D+01  0.430796D+00  0.100467D+01 -0.168538D+00
               151           152           153           154           155 
      1   0.235082D+01  0.449887D+00 -0.224251D+01  0.154375D+01 -0.168839D+01
      2   0.449887D+00  0.648594D+00 -0.294478D+00 -0.168839D+01  0.225944D+01
      3  -0.224251D+01 -0.294478D+00  0.213159D+01  0.802359D+00 -0.673078D+00
               156           157           158           159           160 
      1   0.802359D+00 -0.184982D+01  0.194874D+01 -0.326280D+00  0.565264D+00
      2  -0.673078D+00  0.194874D+01 -0.572827D+01  0.227909D+01 -0.361378D+00
      3   0.135759D+01 -0.326280D+00  0.227909D+01 -0.208948D+01  0.838705D+00
               161           162           163           164           165 
      1  -0.361378D+00  0.838705D+00  0.823309D+00  0.760075D+00  0.123415D+01
      2   0.148610D+01 -0.129306D+01  0.760075D+00  0.134842D+01  0.537200D+00
      3  -0.129306D+01  0.997373D+00  0.123415D+01  0.537200D+00  0.142355D+01
               166           167           168           169           170 
      1   0.133735D+01  0.122173D+01  0.420718D+00  0.116147D+01  0.414884D+00
      2   0.122173D+01  0.277940D+01  0.191774D+01  0.414884D+00  0.160925D+01
      3   0.420718D+00  0.191774D+01  0.308078D+01  0.750773D+00  0.161962D+01
               171 
      1   0.750773D+00
      2   0.161962D+01
      3   0.336141D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.495825D+00 -0.742962D+01 -0.910297D+00 -0.638807D+01  0.198294D+01
      2  -0.257621D+01 -0.273346D+01  0.109353D+02 -0.186555D+01  0.106667D+02
      3  -0.202590D+01 -0.863890D+01  0.246994D+01 -0.415826D+01  0.489691D+01
                 6             7             8             9            10 
      1  -0.108051D+02 -0.106381D+01 -0.414734D+01 -0.304805D+00  0.150644D+01
      2   0.361160D+01  0.410575D+01  0.420950D+01 -0.399726D+01 -0.821166D+01
      3  -0.398158D+01  0.156623D+01 -0.264287D+01 -0.319139D+01  0.242793D+01
                11            12            13            14            15 
      1   0.637452D-01  0.117697D+00  0.112522D-01  0.592799D+00 -0.358280D+01
      2  -0.202530D+01  0.440090D+01  0.142413D+01 -0.244791D+01 -0.329833D+01
      3   0.318577D+01  0.161216D+01  0.984476D+01 -0.101584D+01  0.376498D+01
                16            17            18            19            20 
      1  -0.140312D+01  0.276960D+01 -0.200863D+01 -0.151763D+01  0.192888D+01
      2  -0.172917D+01 -0.235041D+01  0.502137D+01  0.145872D+01  0.285962D+00
      3  -0.117148D+01  0.294255D+01  0.404283D+01 -0.765127D+00 -0.376259D+01
                21            22            23            24            25 
      1  -0.596328D+00  0.418681D+01  0.229585D+00 -0.362174D+00  0.268046D+01
      2  -0.739115D+00 -0.108224D+01 -0.234767D+01  0.196328D+01 -0.785628D+01
      3   0.189698D-01  0.379618D+01 -0.584810D+00 -0.250057D+01  0.117808D+01
                26            27            28            29            30 
      1   0.391086D+01  0.309376D+01 -0.144399D+01 -0.412202D+01  0.453820D+00
      2  -0.139159D+01  0.356483D+01  0.119159D+02  0.438905D+01  0.271728D+01
      3  -0.806409D+00 -0.260502D+00 -0.272839D+01 -0.747142D+01 -0.228653D+01
                31            32            33            34            35 
      1  -0.392420D+01 -0.328818D-01  0.655607D+01  0.244782D+01  0.715053D+01
      2  -0.726095D+00  0.152807D+01 -0.993695D+00 -0.866689D+01 -0.296557D+01
      3  -0.567923D+01  0.819938D+01  0.223039D+01 -0.264664D+00  0.345637D+01
                36            37            38            39            40 
      1  -0.126714D+01 -0.819855D+00  0.378011D+01  0.645778D+00  0.318559D+01
      2  -0.860861D+01 -0.198204D+01 -0.117937D+01  0.482936D+01  0.321318D+00
      3   0.151099D+00  0.219474D+01 -0.696287D+01  0.724890D+00 -0.187224D+01
                41            42            43            44            45 
      1   0.788062D+01  0.380839D+00 -0.990695D+00  0.488055D+01 -0.500993D+00
      2   0.328986D+01  0.339195D+01  0.254818D+01  0.113261D+01  0.868904D+01
      3  -0.119651D+02 -0.628146D+01 -0.196501D+01 -0.574790D+01  0.811117D+00
                46            47            48            49            50 
      1   0.314245D+01  0.248874D+01 -0.477973D+00  0.244406D+01  0.232258D+01
      2   0.102418D+02  0.935177D+00 -0.556967D+00  0.147339D+01  0.280359D+01
      3   0.827126D+01 -0.119799D+02 -0.426170D+01 -0.488340D+01 -0.627104D+01
                51            52            53            54            55 
      1   0.174554D+01 -0.265055D+01  0.727302D+01 -0.724948D+01  0.424346D+01
      2   0.472550D+01 -0.739844D+01  0.676767D+01 -0.134325D+02  0.327464D+01
      3  -0.562936D+01 -0.489822D+01 -0.499686D+01 -0.512091D+01 -0.359835D+01
                56            57            58            59            60 
      1  -0.341114D+01 -0.353257D+01 -0.369123D+01  0.394613D+01 -0.372295D+01
      2  -0.717864D+00  0.236118D+01 -0.893122D+00  0.446280D+01 -0.107388D+01
      3  -0.120013D+02 -0.446341D+01 -0.145397D+01 -0.674481D+01 -0.116426D+01
                61            62            63            64            65 
      1  -0.574764D+01  0.572366D+01  0.368839D+01  0.139062D+01  0.182533D+00
      2  -0.522907D+01  0.121996D+01  0.157538D+01 -0.352888D+01 -0.181088D+01
      3  -0.329787D+01 -0.846875D+00  0.438847D+01 -0.459292D+01  0.408786D+00
                66            67            68            69            70 
      1  -0.731245D+00 -0.842154D+00 -0.747738D+00 -0.122631D+02 -0.703023D+00
      2   0.158471D+01  0.335624D+01 -0.245431D+00  0.251564D+01 -0.162799D+01
      3   0.741427D+00  0.133226D+02 -0.157883D+02  0.136008D+01  0.643960D+00
                71            72            73            74            75 
      1  -0.330045D+00  0.459977D+00 -0.981733D+00  0.359702D+00 -0.229949D+00
      2   0.495597D+01  0.112365D+01 -0.142780D+01  0.789083D+00 -0.222913D+00
      3  -0.294554D-01 -0.446778D+01  0.388848D+00 -0.457693D+00  0.488927D+00
                76            77            78            79            80 
      1  -0.753895D-01 -0.251242D+01  0.798076D+00 -0.974484D+00  0.460151D+01
      2   0.155195D+01 -0.654063D+00 -0.279847D-01 -0.347483D+01  0.773459D+00
      3   0.165501D+01 -0.405891D-01  0.791602D+00 -0.244812D+00  0.124012D+00
                81            82            83            84            85 
      1  -0.200942D+01 -0.465936D+00  0.632334D+00 -0.122859D+01  0.498375D+00
      2  -0.199667D+00  0.955595D+00  0.435700D+00  0.229300D+01 -0.134714D+01
      3  -0.261398D+00 -0.488904D+00 -0.401727D+01 -0.160881D+00  0.614834D+00
                86            87            88            89            90 
      1   0.102286D+01 -0.236089D+01 -0.328825D+00  0.130453D+01 -0.732844D+00
      2   0.146305D+01  0.340024D+01 -0.138668D+01  0.241724D+01  0.233774D+01
      3  -0.660351D+01 -0.303872D+01  0.146176D+01 -0.320146D+01 -0.252593D+01
                91            92            93            94            95 
      1  -0.123092D+00 -0.250824D+01 -0.501868D-01 -0.251683D+01 -0.100714D+02
      2   0.176500D+01 -0.254019D+00 -0.140760D+00 -0.845880D+00 -0.180708D+01
      3   0.296352D+00  0.120227D+01  0.110772D+01  0.284594D+01  0.161503D+02
                96            97            98            99           100 
      1  -0.342391D+01 -0.893200D+00 -0.116009D+01  0.920457D+00  0.107745D+01
      2  -0.494360D+01 -0.119677D+01 -0.234730D+01 -0.370112D+00 -0.176157D+01
      3   0.429618D+01  0.799883D+00  0.352871D+01  0.251750D+01  0.831656D+01
               101           102           103           104           105 
      1   0.202718D+01 -0.179881D+01  0.539702D+00  0.249476D+01 -0.282855D+01
      2  -0.840413D+00  0.665305D+00 -0.150678D+01 -0.175426D+01 -0.306284D+00
      3   0.600236D+01  0.228296D+00  0.756347D+01  0.932843D+01  0.192871D+01
               106           107           108           109           110 
      1   0.377672D+00  0.316737D-01  0.600635D+00 -0.339136D+01  0.106198D+01
      2   0.167048D+00 -0.168782D+00  0.392625D+00  0.480783D+00  0.398182D+00
      3  -0.694905D+00  0.458747D+00  0.761205D-01 -0.516265D+01  0.756987D+00
               111           112           113           114           115 
      1   0.605691D+01  0.536742D+00 -0.109360D+01 -0.181998D+01  0.474249D+01
      2   0.280795D+01 -0.319042D-01 -0.276439D+00 -0.845902D+00 -0.380071D+00
      3   0.317202D+01  0.147791D+01  0.147627D+00 -0.202224D+00  0.453102D+01
               116           117           118           119           120 
      1  -0.121247D+01 -0.577275D+01 -0.264486D+01  0.374250D-01  0.196039D+01
      2  -0.108539D+01 -0.256623D+01 -0.835273D+01  0.407276D+00  0.714917D+01
      3  -0.297772D+00 -0.397931D+01 -0.831574D+01 -0.410246D+01  0.219403D+01
               121           122           123           124           125 
      1   0.449912D+00 -0.622692D+00 -0.956001D+00  0.169014D+01  0.254875D+00
      2  -0.154410D+00 -0.185317D+01  0.205677D+00  0.430883D+01 -0.889914D+00
      3  -0.141242D+01 -0.621984D+00  0.150653D+01  0.223152D+01  0.234722D+01
               126           127           128           129           130 
      1  -0.878954D+00 -0.141579D+01 -0.999147D+00 -0.153785D+01 -0.117221D+01
      2  -0.270768D+01 -0.162565D+01 -0.431479D+00 -0.679819D+00 -0.661491D+00
      3  -0.671153D+00  0.592359D+01  0.531138D+01  0.223985D+01  0.698638D+01
               131           132           133           134           135 
      1  -0.376106D+01 -0.462065D+01 -0.390494D+00 -0.162560D+01 -0.209446D+01
      2  -0.269925D+01 -0.305297D+01 -0.140646D+01 -0.308826D+01 -0.141781D+01
      3   0.135082D+02  0.427449D+01  0.276061D+01  0.528918D+01  0.388329D+01
               136           137           138           139           140 
      1   0.683682D+00 -0.445772D+00  0.564066D+00 -0.540971D+00  0.253832D+00
      2   0.159938D+01 -0.559553D+00  0.167847D+01 -0.381740D+00  0.271085D+01
      3   0.147468D+00  0.242900D+00 -0.197328D+00  0.145484D+01  0.279732D+01
               141           142           143           144           145 
      1  -0.199017D+01  0.773292D+00  0.124955D+01  0.860890D+01  0.111570D+01
      2  -0.308528D+01 -0.632886D+00 -0.435309D+01  0.176669D+02  0.834077D+01
      3  -0.245684D+01 -0.457547D+00 -0.391176D+01  0.427679D+01  0.509743D+01
               146           147           148           149           150 
      1  -0.195135D+01 -0.160061D+01 -0.667411D+00 -0.281919D+00  0.455431D+00
      2   0.476278D+00  0.156707D+01  0.867109D+00 -0.560009D+00 -0.264651D+00
      3  -0.289145D+01 -0.148402D+01  0.335216D+00 -0.680441D+00  0.113448D+01
               151           152           153           154           155 
      1  -0.105825D+01  0.198261D+01  0.116925D+01 -0.256113D+01  0.441590D+01
      2  -0.234041D+01 -0.528048D+00 -0.176831D+00 -0.545796D+01  0.411208D+01
      3  -0.133463D+01  0.128609D+01  0.146525D+01 -0.515303D+01  0.377492D+01
               156           157           158           159           160 
      1   0.135829D+01  0.397098D+01 -0.823718D+01 -0.778077D+00  0.490571D+00
      2  -0.157372D+01  0.475564D+01 -0.698440D+01  0.262611D+01 -0.294183D+01
      3  -0.112798D+01  0.675106D+01 -0.879301D+01  0.273776D+01 -0.102212D+01
               161           162           163           164           165 
      1   0.230945D+01 -0.110817D+01  0.270140D+01  0.388876D+01  0.153746D+01
      2   0.237386D+01 -0.233734D+01 -0.428266D+01 -0.245272D+01 -0.305233D+01
      3   0.181102D+01 -0.276284D+01  0.109075D+01  0.602620D+00 -0.239447D+00
               166           167           168           169           170 
      1   0.316960D+01  0.741109D+01  0.355433D+01  0.167772D+01  0.583104D+01
      2  -0.425343D+01 -0.529526D+01 -0.454743D+01 -0.483225D+01 -0.335725D+01
      3   0.278158D+01  0.275660D+01  0.205634D+01  0.178207D+00  0.123747D+01
               171 
      1   0.460933D+01
      2  -0.538401D+01
      3   0.162874D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.137443D+02 -0.817970D+01  0.168670D+02 -0.711163D+01  0.187216D+02
      2   0.131108D+02  0.124266D+02 -0.869034D+01  0.108787D+02 -0.893917D+01
      3   0.633594D+00 -0.424689D+01 -0.817667D+01 -0.376706D+01 -0.978242D+01
      4  -0.108170D+02  0.475847D+01  0.732300D+01  0.582311D+01  0.167684D+01
      5   0.246994D+02  0.533510D+01 -0.120778D+02  0.346021D+01 -0.180367D+01
      6   0.858841D+01 -0.944335D+01 -0.340828D+01 -0.884074D+01  0.622669D+01
                 6             7             8             9            10 
      1   0.396214D+01  0.129331D+02  0.385433D+01 -0.709838D+01  0.100385D+02
      2   0.832623D+01 -0.640312D+01  0.684771D+01 -0.948675D+00 -0.114351D+02
      3  -0.122884D+02 -0.653002D+01 -0.107020D+02  0.804705D+01  0.139664D+01
      4   0.518663D+01  0.620405D+01  0.429348D+01  0.541366D+01 -0.362516D+01
      5   0.153373D+01 -0.936224D+01  0.336689D+01 -0.543446D+01 -0.106430D+02
      6  -0.754536D+01 -0.217466D+01 -0.552559D+01 -0.799523D+01 -0.577578D+01
                11            12            13            14            15 
      1   0.737661D+00 -0.917476D+01  0.323416D+01 -0.111912D+02 -0.162253D+01
      2  -0.118392D+01  0.382663D+01 -0.239639D+01  0.353966D+00 -0.317350D+01
      3   0.446263D+00  0.534812D+01 -0.837766D+00  0.108373D+02  0.479603D+01
      4  -0.149548D+02 -0.489526D+01 -0.153451D+02 -0.839389D+01 -0.112634D+02
      5  -0.283895D+01 -0.178051D+01 -0.152206D+01 -0.125883D+02 -0.775370D+01
      6  -0.469464D+01 -0.858681D+00 -0.503216D+01 -0.528906D+01 -0.349965D+01
                16            17            18            19            20 
      1  -0.106009D+02 -0.139284D+01  0.265854D+01 -0.816072D+01 -0.627450D+01
      2   0.410516D+01 -0.189986D+01 -0.209828D+01  0.763249D+01  0.729005D+01
      3   0.649569D+01  0.329271D+01 -0.560266D+00  0.528237D+00 -0.101555D+01
      4  -0.292819D+01 -0.913510D+01 -0.105056D+02  0.484971D+01  0.141324D+00
      5  -0.282686D+01 -0.959799D+01  0.811542D+01  0.929092D-01 -0.114716D+01
      6  -0.170798D+01 -0.516465D+01 -0.337878D+00  0.453786D+01  0.435466D+01
                21            22            23            24            25 
      1   0.541573D+00 -0.356731D+01  0.307730D+01 -0.429723D+01  0.414644D+01
      2   0.967019D-01  0.353805D+01 -0.938199D+00 -0.498157D+01 -0.192103D+00
      3  -0.638275D+00  0.292543D-01 -0.213910D+01  0.927880D+01 -0.395434D+01
      4   0.651711D+00 -0.470129D+01  0.807296D+01  0.117262D+01 -0.118467D+01
      5  -0.693178D+00 -0.164995D+01  0.245737D+01  0.400073D+01  0.167795D+01
      6   0.299394D+01  0.157147D+01  0.187733D+00 -0.576672D+01 -0.923256D+00
                26            27            28            29            30 
      1  -0.591602D+01  0.769993D+01 -0.393656D+01  0.120653D+01  0.132995D-01
      2  -0.159502D+01  0.130523D+02  0.603940D+00 -0.116050D+01  0.662386D+01
      3   0.751103D+01 -0.207522D+02  0.333262D+01 -0.460248D-01 -0.663716D+01
      4   0.313966D+01 -0.276479D+01  0.272188D+01  0.230916D+01  0.987828D+00
      5  -0.752683D+00 -0.752658D+00 -0.620081D+01  0.303708D+01 -0.146486D+01
      6   0.230940D+01  0.535384D+01 -0.193918D+01 -0.210472D+01  0.152829D+01
                31            32            33            34            35 
      1   0.507634D+01  0.184882D+02  0.351643D+00 -0.100680D+02  0.496571D+01
      2  -0.532959D+01 -0.340000D+02 -0.390911D-01  0.847469D+01 -0.642197D+00
      3   0.253248D+00  0.155118D+02 -0.312551D+00  0.159328D+01 -0.432351D+01
      4  -0.137043D+02 -0.158647D+02  0.372652D+01  0.351895D+01 -0.275165D+00
      5   0.554000D+01  0.623590D+01 -0.101010D+01  0.704777D+00  0.142718D+01
      6   0.467512D+00  0.244997D+01 -0.109693D+02 -0.800087D+00  0.106674D+01
                36            37            38            39            40 
      1  -0.343604D+00  0.344780D+02 -0.196031D+01  0.689478D+01  0.318429D+01
      2  -0.218201D+01 -0.225177D+02  0.132187D+01 -0.916942D+01 -0.221662D+01
      3   0.252561D+01 -0.119603D+02  0.638437D+00  0.227465D+01 -0.967669D+00
      4   0.931194D+00 -0.233219D+01  0.827555D+01  0.416033D+00  0.127742D+02
      5  -0.741930D+01  0.139380D+02 -0.114405D+01  0.139482D+02  0.278902D+01
      6  -0.982550D+00  0.680708D+00  0.107494D+01 -0.220729D+01  0.125856D+00
                41            42            43            44            45 
      1   0.588644D+01  0.469508D+01  0.102484D+02  0.229403D+00  0.285646D+01
      2  -0.182889D+01 -0.389221D+01 -0.102950D+02  0.731444D+00 -0.149937D+02
      3  -0.405756D+01 -0.802865D+00  0.465202D-01 -0.960847D+00  0.121372D+02
      4   0.942532D+01  0.539255D+01 -0.210962D+01  0.404348D+01 -0.790395D+00
      5   0.597993D+01  0.321515D+01  0.155862D+02 -0.190934D+01  0.169766D+02
      6  -0.154366D+01  0.483637D+01  0.250262D+00  0.451623D+01 -0.317930D+00
                46            47            48            49            50 
      1  -0.381405D+02  0.493361D+01  0.170401D+02 -0.169113D+01  0.164701D+02
      2   0.202587D+02 -0.963942D+01 -0.959473D+01 -0.563761D+01 -0.103667D+02
      3   0.178818D+02  0.470581D+01 -0.744537D+01  0.732873D+01 -0.610342D+01
      4   0.529646D+01  0.118086D+02 -0.216190D+01  0.129719D+02 -0.358650D+01
      5   0.123332D+02  0.442466D+00 -0.706158D+00  0.108042D+01  0.995613D+01
      6  -0.503557D+01 -0.255348D-01  0.578082D+00  0.648088D+00 -0.455762D+01
                51            52            53            54            55 
      1   0.304476D+01  0.209892D+02  0.159149D+01  0.414074D+01  0.110734D+02
      2  -0.901684D+01 -0.967429D+01 -0.866824D+01  0.644498D+01 -0.526951D+01
      3   0.597207D+01 -0.113149D+02  0.707675D+01 -0.105857D+02 -0.580386D+01
      4   0.614301D+01 -0.202020D+01  0.469677D+01  0.951419D+01 -0.397218D+01
      5   0.914848D+01 -0.400651D+01  0.105000D+02 -0.259599D+02  0.518449D+01
      6  -0.369735D+01  0.224774D+01 -0.417471D+01  0.125340D+02 -0.803808D+01
                56            57            58            59            60 
      1   0.113651D+02  0.208886D+01  0.804819D+01  0.167534D+01  0.255687D+01
      2  -0.195404D+02 -0.576556D+01 -0.151037D+02  0.467960D+01 -0.306585D+01
      3   0.817525D+01  0.367670D+01  0.705548D+01 -0.635494D+01  0.508973D+00
      4   0.253854D+01 -0.506036D+01  0.662274D+01 -0.174049D+02  0.261326D+01
      5  -0.326295D+01 -0.998123D+00 -0.208593D+01 -0.208325D+01 -0.328269D+00
      6  -0.254969D+01  0.597548D+01 -0.952633D+00 -0.443489D+01  0.400004D+01
                61            62            63            64            65 
      1  -0.346753D+00  0.295953D+01 -0.396816D+01  0.290435D+01  0.635900D+01
      2  -0.299320D+01 -0.509303D+01 -0.115014D+01  0.499402D+01 -0.235624D+01
      3   0.333996D+01  0.213350D+01  0.511830D+01 -0.789837D+01 -0.400276D+01
      4  -0.686746D+01  0.545382D+01  0.924833D+01  0.683267D+01  0.158275D+02
      5  -0.553137D+01  0.456958D+01  0.912360D+01 -0.149919D+01 -0.207689D+01
      6   0.109216D+02 -0.301472D+01 -0.691197D+01 -0.838374D+00 -0.116511D+01
                66            67            68            69            70 
      1  -0.629603D-01  0.397244D+01 -0.341951D+02  0.273585D+01  0.709693D+00
      2  -0.106988D+01  0.971444D+00  0.633658D+02 -0.301221D+01 -0.184127D+01
      3   0.113284D+01 -0.494388D+01 -0.291707D+02  0.276354D+00  0.113157D+01
      4  -0.171807D+01  0.207444D+02  0.316922D+02 -0.384302D+01 -0.183175D+01
      5   0.450074D+01 -0.146656D+01 -0.728588D+01  0.726723D+01  0.468377D+01
      6   0.100707D+01 -0.208414D+01 -0.444951D+01  0.174709D+02  0.178041D+01
                71            72            73            74            75 
      1   0.914989D-03 -0.766015D+01  0.489188D+00  0.384070D+00 -0.518201D+00
      2  -0.126727D+01  0.619799D+01 -0.502296D+01  0.856783D-01 -0.822539D+00
      3   0.126636D+01  0.146216D+01  0.453377D+01 -0.469748D+00  0.134074D+01
      4  -0.172381D+01  0.648906D+01  0.120004D+00  0.156010D+01 -0.627718D+00
      5   0.718925D+01 -0.256128D+01  0.106348D+01 -0.156416D+01  0.636143D+01
      6   0.153606D+02 -0.231562D+01 -0.198567D+01  0.261526D-01 -0.113194D+00
                76            77            78            79            80 
      1   0.253726D+00 -0.408519D+01  0.434273D+01 -0.404765D+00  0.321721D+01
      2   0.841457D+00 -0.157481D+01  0.419197D+01 -0.160591D+01  0.462536D+01
      3  -0.109518D+01  0.566000D+01 -0.853469D+01  0.201068D+01 -0.784257D+01
      4   0.216175D+01  0.789122D+00 -0.234662D+00 -0.876594D-02 -0.177190D+01
      5  -0.116302D+01  0.306590D+00 -0.128523D+00  0.507093D+01  0.934775D-01
      6   0.736290D+00 -0.436254D+01  0.803640D+01 -0.862967D+00  0.612469D+01
                81            82            83            84            85 
      1  -0.183024D+02  0.100638D+02  0.523539D+01  0.509148D+01  0.412452D+01
      2  -0.187818D+02 -0.243474D+01 -0.269849D+00 -0.208850D+01  0.163286D+01
      3   0.370842D+02 -0.762910D+01 -0.496554D+01 -0.300298D+01 -0.575737D+01
      4   0.939052D+00  0.127346D+02  0.140502D+02  0.593220D+01  0.147149D+02
      5  -0.281716D+00  0.866807D+01  0.523413D+01  0.758928D+01  0.530419D+01
      6  -0.494072D+01  0.465776D+01  0.397086D+01  0.363343D+01  0.455233D+01
                86            87            88            89            90 
      1  -0.249065D+00 -0.862713D-01  0.426008D+01 -0.103739D+01 -0.396132D+00
      2   0.104150D+02  0.345254D+01 -0.239001D+01  0.181976D+01 -0.128379D+01
      3  -0.101660D+02 -0.336627D+01 -0.187008D+01 -0.782368D+00  0.167992D+01
      4   0.216833D+02  0.928521D+01  0.536837D+01  0.879071D+01  0.917411D+01
      5   0.878914D+01  0.775317D+01  0.839343D+01  0.832297D+01  0.874141D+01
      6   0.106610D+02  0.851018D+01  0.408909D+01  0.919720D+01  0.804886D+01
                91            92            93            94            95 
      1   0.227631D+01 -0.293104D+01 -0.490931D+00 -0.102304D+02 -0.318690D+01
      2   0.660509D-01  0.613576D+00  0.193106D+01  0.633274D+01  0.287511D+01
      3  -0.234236D+01  0.231746D+01 -0.144013D+01  0.389769D+01  0.311789D+00
      4  -0.474405D+01  0.939914D+00 -0.193976D+01  0.114705D+01 -0.152558D+02
      5  -0.720562D+00 -0.196181D+01 -0.439009D+00 -0.702566D+01 -0.103229D+01
      6  -0.548055D+00  0.175931D+01 -0.645484D+00  0.350261D+01 -0.175731D+01
                96            97            98            99           100 
      1  -0.481526D+01 -0.272572D+01 -0.107965D+01 -0.193515D+01 -0.492525D+01
      2   0.568927D+01  0.215184D+01  0.111218D+00  0.201105D+01  0.829724D+01
      3  -0.874014D+00  0.573880D+00  0.968434D+00 -0.758971D-01 -0.337199D+01
      4   0.362529D+00 -0.308433D+01 -0.614160D-01 -0.266872D+01  0.754968D+01
      5  -0.766290D+01  0.130546D+00 -0.286309D+01  0.575120D+00  0.306529D+01
      6   0.289216D+01  0.188256D+00  0.265614D+01 -0.262213D+01  0.226232D+01
               101           102           103           104           105 
      1  -0.114716D+02 -0.207227D+01 -0.754339D+01 -0.199139D+02 -0.411699D+01
      2   0.176567D+02  0.151503D+01  0.106397D+02  0.304567D+02  0.352674D+01
      3  -0.618516D+01  0.557245D+00 -0.309634D+01 -0.105428D+02  0.590246D+00
      4   0.729979D+01  0.299636D+00  0.698928D+01  0.557930D+01 -0.883315D-02
      5   0.250031D+01  0.983287D+00  0.265735D+01  0.207757D+01 -0.686165D+00
      6   0.676000D+01  0.324849D+01  0.335344D+01  0.112498D+02  0.675266D+01
               106           107           108           109           110 
      1   0.960252D+00 -0.200693D+01 -0.170113D+01  0.424466D+01  0.760541D+00
      2  -0.385755D+00  0.186957D+01  0.186963D+01 -0.442646D+01 -0.140143D+01
      3  -0.574496D+00  0.137353D+00 -0.168499D+00  0.181801D+00  0.640888D+00
      4   0.226446D+00 -0.243037D+00  0.307932D+00 -0.122777D+02  0.792614D+01
      5   0.223523D+01  0.133355D+00  0.579313D+00 -0.131597D+02  0.640972D+01
      6  -0.572614D-01  0.541171D+01  0.190904D+01  0.104096D+02 -0.753895D+01
               111           112           113           114           115 
      1  -0.404538D+00  0.110346D+01 -0.371356D+01 -0.292254D+01  0.465333D+00
      2   0.409892D+01 -0.196140D+01  0.418633D+01  0.305085D+01  0.420563D+01
      3  -0.369439D+01  0.857936D+00 -0.472766D+00 -0.128313D+00 -0.467096D+01
      4   0.878832D+01  0.581840D+01 -0.506872D+01 -0.442233D+01  0.103894D+02
      5   0.123676D+02  0.267097D+01 -0.447062D+01 -0.305243D+01  0.137952D+02
      6  -0.121012D+02 -0.497418D+01  0.712861D+01  0.789951D+01 -0.125644D+02
               116           117           118           119           120 
      1  -0.455406D+01 -0.417778D+01  0.685587D+02 -0.630359D+01 -0.107005D+02
      2   0.259562D+01 -0.445448D+01 -0.338655D+02  0.136180D+01  0.550770D+01
      3   0.195844D+01  0.863226D+01 -0.346932D+02  0.494179D+01  0.519278D+01
      4  -0.723044D+01 -0.107949D+02 -0.174603D+02  0.106534D+02  0.223964D+01
      5  -0.715854D+01 -0.145147D+02 -0.599138D+01  0.214203D-01  0.103636D+02
      6   0.118932D+02  0.161883D+02  0.334683D+01 -0.421532D-01 -0.315044D+01
               121           122           123           124           125 
      1   0.317135D+01  0.546469D+01 -0.863623D+00 -0.167933D+02  0.159372D+01
      2  -0.337353D+01 -0.106416D+01  0.167653D+01  0.861270D+01  0.789937D+00
      3   0.202184D+00 -0.440053D+01 -0.812907D+00  0.818059D+01 -0.238366D+01
      4   0.859567D+01 -0.139523D+01 -0.294932D+01  0.496993D+01 -0.424582D+01
      5  -0.827540D-02 -0.253775D+01  0.362043D+00  0.112352D+02 -0.194224D+01
      6  -0.283795D+00  0.100870D+01  0.126520D+01 -0.299258D+01  0.170892D+01
               126           127           128           129           130 
      1   0.845782D+01 -0.150593D+01 -0.555246D+01 -0.396609D+01 -0.737021D+01
      2  -0.617983D+01  0.313848D+01  0.681430D+01  0.277436D+01  0.637274D+01
      3  -0.227799D+01 -0.163255D+01 -0.126184D+01  0.119172D+01  0.997469D+00
      4  -0.298697D+01  0.124823D+01 -0.270748D+01  0.919490D+00  0.275035D+01
      5  -0.420889D+01 -0.286040D+01 -0.818906D+00 -0.189874D+01 -0.169612D+01
      6   0.680849D+00  0.185198D+01  0.641382D+00  0.216667D+01  0.873787D+00
               131           132           133           134           135 
      1  -0.155908D+02 -0.457992D+01 -0.597654D+01 -0.430463D+01 -0.542355D+01
      2   0.254539D+02  0.730006D+01  0.320915D+01  0.770199D+01  0.367951D+01
      3  -0.986311D+01 -0.272014D+01  0.276739D+01 -0.339736D+01  0.174403D+01
      4  -0.148822D+02 -0.338985D+01  0.267678D+01 -0.633109D+01 -0.386584D+01
      5  -0.543640D+01 -0.636917D+01  0.218986D+00 -0.546612D+01 -0.181547D+01
      6   0.437043D+01  0.624561D+01  0.835064D+00  0.625668D+01  0.334516D+01
               136           137           138           139           140 
      1   0.553137D+01 -0.222926D+01  0.398118D+01 -0.194231D+00 -0.485310D+01
      2  -0.497955D+01  0.176478D+01 -0.282032D+01  0.466143D+00  0.312867D+01
      3  -0.551811D+00  0.464482D+00 -0.116086D+01 -0.271912D+00  0.172443D+01
      4  -0.315355D+01  0.150956D+01 -0.315377D+01  0.251807D+01 -0.486183D+01
      5   0.551098D+01 -0.256569D+01  0.830910D+01 -0.242675D+01  0.573674D+01
      6  -0.219060D+01  0.908584D+00 -0.172567D+01  0.188809D+01 -0.538186D+01
               141           142           143           144           145 
      1   0.238917D+01  0.524507D+01  0.228181D+01 -0.956870D+01  0.338551D+02
      2  -0.129007D+01 -0.520266D+01 -0.587964D-01 -0.136432D+02 -0.231574D+02
      3  -0.109910D+01 -0.424124D-01 -0.222301D+01  0.232119D+02 -0.106977D+02
      4   0.611221D+01 -0.629588D+01  0.865995D+01 -0.931893D+01  0.156807D+02
      5  -0.664620D+01  0.132707D+02 -0.110223D+02  0.370880D+02 -0.340575D+02
      6   0.959206D+01 -0.390447D+01  0.105950D+02 -0.193119D+02 -0.696856D+01
               146           147           148           149           150 
      1   0.319158D+01 -0.970353D+01  0.224712D+01  0.148627D+01 -0.406274D+00
      2  -0.153601D+01  0.128827D+02 -0.547179D+00 -0.472805D+00 -0.844503D+00
      3  -0.165557D+01 -0.317914D+01 -0.169994D+01 -0.101347D+01  0.125078D+01
      4   0.904475D+01 -0.771716D+01  0.833886D+01  0.446063D+01 -0.474678D+01
      5  -0.579308D+01  0.226798D+02 -0.358657D+01 -0.514602D+01  0.222918D+01
      6  -0.495702D+01  0.609104D+01 -0.398418D+01 -0.336815D+01  0.499219D+01
               151           152           153           154           155 
      1  -0.557451D+01 -0.632167D+00  0.439169D+01 -0.445237D+01  0.850837D+01
      2   0.920240D+01  0.424239D+00 -0.992427D+01  0.404218D+01 -0.838616D+01
      3  -0.362788D+01  0.207929D+00  0.553258D+01  0.410186D+00 -0.122215D+00
      4  -0.500593D+01 -0.318760D+01  0.446508D+01 -0.142489D+01  0.148051D+01
      5   0.176016D+02  0.300930D+01 -0.150706D+02  0.170280D+01 -0.330858D+01
      6   0.457120D+01  0.406145D+01 -0.392112D+01 -0.500704D+01  0.818168D+01
               156           157           158           159           160 
      1  -0.651446D+01  0.775682D+01 -0.207070D+02  0.860141D+01 -0.373515D+01
      2   0.125541D+01 -0.792815D+01  0.229548D+02 -0.404157D+01  0.641428D+00
      3   0.525905D+01  0.171323D+00 -0.224780D+01 -0.455985D+01  0.309372D+01
      4  -0.519178D+00  0.249101D+01  0.639321D+01 -0.376091D+01 -0.650504D+00
      5   0.184841D+01 -0.447904D+01  0.631219D+00  0.209701D+01  0.271301D+01
      6  -0.500058D+01  0.595279D+01 -0.202798D+02  0.129142D+02 -0.368379D+01
               161           162           163           164           165 
      1   0.623994D+01 -0.732533D+01 -0.206531D+01 -0.130818D+01 -0.670319D+01
      2  -0.277262D+01  0.256985D+01 -0.232609D+01 -0.209711D+01 -0.159450D+01
      3  -0.346732D+01  0.475548D+01  0.439140D+01  0.340529D+01  0.829768D+01
      4  -0.169458D+01  0.243183D+00  0.126514D+00 -0.868297D+00 -0.131274D+01
      5   0.373470D-01  0.894862D+00  0.528988D+00  0.195393D+01  0.315190D+01
      6   0.105650D+02 -0.669023D+01  0.199146D+01  0.484360D+01  0.198835D+01
               166           167           168           169           170 
      1  -0.269969D+01 -0.797928D+01 -0.793698D+01 -0.483555D+01 -0.497833D+01
      2  -0.708485D+00  0.105373D+00 -0.592088D+01 -0.723179D+00 -0.448776D+01
      3   0.340818D+01  0.787390D+01  0.138579D+02  0.555873D+01  0.946609D+01
      4  -0.774071D+00 -0.570563D+01 -0.372028D+01 -0.136658D+01 -0.317790D+01
      5   0.360778D+01  0.213546D+00 -0.396927D+01  0.434626D+01 -0.583675D+00
      6   0.413472D+01  0.105934D+02  0.811581D+01  0.214128D+01  0.774970D+01
               171 
      1  -0.103347D+02
      2  -0.821512D+01
      3   0.185498D+02
      4  -0.302961D+01
      5  -0.242016D+01
      6   0.673911D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 22:04:05 2021, MaxMem=  5368709120 cpu:            6866.0 elap:             860.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.49795 -19.44671 -14.63889 -10.57274 -10.49716
 Alpha  occ. eigenvalues --  -10.46590 -10.43770 -10.43040  -1.23069  -1.13926
 Alpha  occ. eigenvalues --   -1.05464  -0.94518  -0.83710  -0.82240  -0.73351
 Alpha  occ. eigenvalues --   -0.72174  -0.64822  -0.63451  -0.61849  -0.59514
 Alpha  occ. eigenvalues --   -0.56016  -0.55771  -0.54267  -0.51824  -0.50127
 Alpha  occ. eigenvalues --   -0.49269  -0.46065  -0.45433  -0.45162  -0.42858
 Alpha  occ. eigenvalues --   -0.41137  -0.37536
 Alpha virt. eigenvalues --    0.03789   0.06022   0.06120   0.06616   0.08644
 Alpha virt. eigenvalues --    0.09368   0.10054   0.11158   0.11347   0.13128
 Alpha virt. eigenvalues --    0.15026   0.15686   0.16467   0.16668   0.16901
 Alpha virt. eigenvalues --    0.18430   0.18803   0.20632   0.20907   0.21584
 Alpha virt. eigenvalues --    0.22523   0.23294   0.23939   0.24646   0.25494
 Alpha virt. eigenvalues --    0.26156   0.27337   0.28190   0.29289   0.30530
 Alpha virt. eigenvalues --    0.31388   0.31989   0.32519   0.33336   0.33355
 Alpha virt. eigenvalues --    0.34120   0.34873   0.36169   0.36457   0.37168
 Alpha virt. eigenvalues --    0.37443   0.38081   0.38519   0.39308   0.39522
 Alpha virt. eigenvalues --    0.40477   0.40894   0.41766   0.42217   0.43081
 Alpha virt. eigenvalues --    0.43723   0.44080   0.44969   0.45340   0.45960
 Alpha virt. eigenvalues --    0.46468   0.47733   0.47872   0.49249   0.49906
 Alpha virt. eigenvalues --    0.50404   0.51727   0.52099   0.52317   0.53055
 Alpha virt. eigenvalues --    0.53790   0.54864   0.55234   0.55319   0.56261
 Alpha virt. eigenvalues --    0.57038   0.57435   0.57966   0.58847   0.59402
 Alpha virt. eigenvalues --    0.60209   0.61169   0.61339   0.62575   0.63400
 Alpha virt. eigenvalues --    0.63979   0.64601   0.65451   0.66679   0.67916
 Alpha virt. eigenvalues --    0.68425   0.69544   0.70820   0.72385   0.72710
 Alpha virt. eigenvalues --    0.73469   0.74863   0.75687   0.76348   0.78498
 Alpha virt. eigenvalues --    0.79849   0.81593   0.82739   0.83884   0.85069
 Alpha virt. eigenvalues --    0.86260   0.88102   0.88920   0.89452   0.91387
 Alpha virt. eigenvalues --    0.96625   0.97996   0.98306   1.01011   1.02102
 Alpha virt. eigenvalues --    1.05397   1.07209   1.08973   1.09195   1.09729
 Alpha virt. eigenvalues --    1.11254   1.11610   1.12700   1.15184   1.16514
 Alpha virt. eigenvalues --    1.17647   1.20057   1.20857   1.22987   1.24577
 Alpha virt. eigenvalues --    1.26700   1.28221   1.29655   1.31158   1.35818
 Alpha virt. eigenvalues --    1.37927   1.41062   1.43425   1.45588   1.46364
 Alpha virt. eigenvalues --    1.48927   1.51432   1.53323   1.55939   1.60765
 Alpha virt. eigenvalues --    1.64548   1.66793   1.69133   1.72174   1.72851
 Alpha virt. eigenvalues --    1.75187   1.77478   1.79812   1.81471   1.83326
 Alpha virt. eigenvalues --    1.84445   1.85985   1.86888   1.89616   1.90766
 Alpha virt. eigenvalues --    1.91435   1.92721   1.95479   1.96762   1.99221
 Alpha virt. eigenvalues --    2.01809   2.04161   2.04268   2.06447   2.06718
 Alpha virt. eigenvalues --    2.10336   2.11225   2.13545   2.14759   2.15517
 Alpha virt. eigenvalues --    2.16316   2.17921   2.20395   2.21113   2.22749
 Alpha virt. eigenvalues --    2.23482   2.25672   2.29264   2.32384   2.35037
 Alpha virt. eigenvalues --    2.36382   2.38618   2.39600   2.43307   2.44006
 Alpha virt. eigenvalues --    2.46793   2.49104   2.49338   2.53013   2.56580
 Alpha virt. eigenvalues --    2.60898   2.61813   2.65431   2.67549   2.71985
 Alpha virt. eigenvalues --    2.72849   2.74747   2.76100   2.82941   2.90605
 Alpha virt. eigenvalues --    2.94240   2.99980   3.02067   3.06049   3.06692
 Alpha virt. eigenvalues --    3.09160   3.10099   3.16762   3.18141   3.20049
 Alpha virt. eigenvalues --    3.22147   3.25734   3.27390   3.30179   3.32714
 Alpha virt. eigenvalues --    3.37816   3.45672   3.54157   3.64346   3.70079
 Alpha virt. eigenvalues --    3.89856   4.02379
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.184166   0.363022   0.033763  -0.080294  -0.006403  -0.025121
     2  C    0.363022   5.876685   0.050052   0.113193  -0.013472   0.327472
     3  C    0.033763   0.050052   6.323389  -0.831129   0.054512   0.029263
     4  C   -0.080294   0.113193  -0.831129   6.626264  -0.003869  -0.095253
     5  O   -0.006403  -0.013472   0.054512  -0.003869   7.965237   0.012255
     6  C   -0.025121   0.327472   0.029263  -0.095253   0.012255   4.380551
     7  N   -0.021985  -0.007634  -0.119033   0.068327  -0.099981   0.016610
     8  O    0.017306  -0.056530   0.086057   0.147922   0.092198  -0.006723
     9  H    0.031456  -0.024014   0.172530  -0.029008  -0.006734  -0.071863
    10  H   -0.035676   0.316105  -0.144637   0.065692  -0.002359  -0.116776
    11  H    0.003907  -0.043577  -0.071846   0.151181   0.182536  -0.000171
    12  H   -0.003414  -0.037752   0.092433  -0.043277   0.015376   0.003108
    13  H   -0.000432   0.020867   0.172298   0.010751   0.008559  -0.001231
    14  H   -0.009194   0.128189   0.043388  -0.000803  -0.001355   0.152682
    15  H   -0.028269   0.261157  -0.104096   0.070816  -0.009717   0.078721
    16  H    0.007410   0.006613  -0.041254  -0.031599   0.002089   0.423135
    17  H    0.167884   0.116942   0.047044  -0.013980   0.007303   0.014022
    18  H    0.338424   0.037264  -0.025459  -0.039917  -0.012495  -0.000029
    19  H    0.170391   0.162066  -0.076814   0.089245  -0.015352  -0.043115
               7          8          9         10         11         12
     1  C   -0.021985   0.017306   0.031456  -0.035676   0.003907  -0.003414
     2  C   -0.007634  -0.056530  -0.024014   0.316105  -0.043577  -0.037752
     3  C   -0.119033   0.086057   0.172530  -0.144637  -0.071846   0.092433
     4  C    0.068327   0.147922  -0.029008   0.065692   0.151181  -0.043277
     5  O   -0.099981   0.092198  -0.006734  -0.002359   0.182536   0.015376
     6  C    0.016610  -0.006723  -0.071863  -0.116776  -0.000171   0.003108
     7  N    7.351840  -0.007337  -0.156373  -0.021450  -0.012721   0.023762
     8  O   -0.007337   7.968096  -0.005643  -0.001054  -0.024306   0.004212
     9  H   -0.156373  -0.005643   1.280087   0.017635   0.025076   0.090685
    10  H   -0.021450  -0.001054   0.017635   1.310817   0.002630  -0.035692
    11  H   -0.012721  -0.024306   0.025076   0.002630   0.521232   0.004968
    12  H    0.023762   0.004212   0.090685  -0.035692   0.004968   0.893227
    13  H    0.063144  -0.003242  -0.096343   0.007175  -0.030971  -0.136965
    14  H   -0.001661   0.004952   0.007368   0.023918   0.000184   0.000042
    15  H    0.004045  -0.026736  -0.005992   0.007739  -0.000477  -0.000506
    16  H   -0.000628  -0.010988   0.004054  -0.052051   0.000508   0.001201
    17  H    0.006801   0.001901  -0.003247  -0.026688   0.000464   0.001957
    18  H   -0.048837   0.004912   0.004167  -0.003176  -0.006896   0.008909
    19  H   -0.003085  -0.026383  -0.000934   0.018072   0.000232  -0.004030
              13         14         15         16         17         18
     1  C   -0.000432  -0.009194  -0.028269   0.007410   0.167884   0.338424
     2  C    0.020867   0.128189   0.261157   0.006613   0.116942   0.037264
     3  C    0.172298   0.043388  -0.104096  -0.041254   0.047044  -0.025459
     4  C    0.010751  -0.000803   0.070816  -0.031599  -0.013980  -0.039917
     5  O    0.008559  -0.001355  -0.009717   0.002089   0.007303  -0.012495
     6  C   -0.001231   0.152682   0.078721   0.423135   0.014022  -0.000029
     7  N    0.063144  -0.001661   0.004045  -0.000628   0.006801  -0.048837
     8  O   -0.003242   0.004952  -0.026736  -0.010988   0.001901   0.004912
     9  H   -0.096343   0.007368  -0.005992   0.004054  -0.003247   0.004167
    10  H    0.007175   0.023918   0.007739  -0.052051  -0.026688  -0.003176
    11  H   -0.030971   0.000184  -0.000477   0.000508   0.000464  -0.006896
    12  H   -0.136965   0.000042  -0.000506   0.001201   0.001957   0.008909
    13  H    0.893092  -0.000138  -0.000100  -0.000526  -0.000208   0.005736
    14  H   -0.000138   0.803340  -0.027445  -0.122612   0.008336   0.006364
    15  H   -0.000100  -0.027445   0.841107  -0.080456  -0.030091  -0.000937
    16  H   -0.000526  -0.122612  -0.080456   0.848771   0.010847  -0.004612
    17  H   -0.000208   0.008336  -0.030091   0.010847   0.970106  -0.197721
    18  H    0.005736   0.006364  -0.000937  -0.004612  -0.197721   0.996823
    19  H    0.000563  -0.023910   0.036195  -0.001770  -0.068033  -0.022253
              19
     1  C    0.170391
     2  C    0.162066
     3  C   -0.076814
     4  C    0.089245
     5  O   -0.015352
     6  C   -0.043115
     7  N   -0.003085
     8  O   -0.026383
     9  H   -0.000934
    10  H    0.018072
    11  H    0.000232
    12  H   -0.004030
    13  H    0.000563
    14  H   -0.023910
    15  H    0.036195
    16  H   -0.001770
    17  H   -0.068033
    18  H   -0.022253
    19  H    0.758330
 Mulliken charges:
               1
     1  C    0.893060
     2  C   -1.596647
     3  C    0.309539
     4  C   -0.174261
     5  O   -0.168328
     6  C    0.922467
     7  N   -0.033803
     8  O   -0.158617
     9  H   -0.232906
    10  H   -0.330226
    11  H    0.298048
    12  H    0.121756
    13  H    0.087971
    14  H    0.008356
    15  H    0.015042
    16  H    0.041871
    17  H   -0.013638
    18  H   -0.040269
    19  H    0.050585
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.889739
     2  C   -1.926873
     3  C    0.076633
     4  C   -0.174261
     5  O    0.129720
     6  C    0.987735
     7  N    0.175924
     8  O   -0.158617
 Electronic spatial extent (au):  <R**2>=            985.8925
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -2.0989    Y=             -4.6434    Z=             -1.9108  Tot=              5.4422
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -51.4976   YY=            -53.0366   ZZ=            -47.7795
   XY=             -4.6927   XZ=             -3.3840   YZ=              2.2892
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.7264   YY=             -2.2653   ZZ=              2.9917
   XY=             -4.6927   XZ=             -3.3840   YZ=              2.2892
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              2.6357  YYY=            -22.6165  ZZZ=             -6.1433  XYY=             -2.1791
  XXY=             -8.1206  XXZ=             -5.6014  XZZ=              4.8562  YZZ=             -3.9721
  YYZ=             -3.6156  XYZ=              1.2061
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -628.8749 YYYY=           -407.2913 ZZZZ=           -243.1381 XXXY=            -11.1283
 XXXZ=            -15.0792 YYYX=            -11.7777 YYYZ=             20.2768 ZZZX=             -3.7651
 ZZZY=              7.4833 XXYY=           -174.3287 XXZZ=           -142.8742 YYZZ=           -101.5275
 XXYZ=              1.2084 YYXZ=             -1.5591 ZZXY=             -7.7612
 N-N= 4.132608280726D+02 E-N=-1.762466646389D+03  KE= 3.973211869069D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 22:04:05 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-7.42875624D-01-1.76742091D+00-7.18479099D-01
 Polarizability= 7.60944835D+01-2.69602986D+00 7.76509700D+01
                 1.43288919D+00-1.41107153D+00 6.81616490D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.8254   -0.8276       -1.3239   -1.3233
 2      0.8254    0.8276        0.7763    0.7740        0.8277    0.8281
 3      1.3239    1.3233        3.9461    3.9460       -0.7769   -0.7740
 4     -0.7763   -0.7740       -0.0000    0.0000        1.3247    1.3233
 5     -4.7738   -4.7740       -1.3247   -1.3233       -0.8265   -0.8276
 6      0.7769    0.7740        0.8265    0.8276       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        2.4827    2.4827       -3.9699   -3.9699
 2     -2.3221   -2.3221       -0.0000    0.0000       -3.9699   -3.9699
 3     -2.3221   -2.3221        2.4827    2.4827       -0.0000    0.0000
 4      2.4827    2.4827        2.3221    2.3221        2.4842    2.4842
 5      3.9699    3.9699       11.8379   11.8379       -2.3221   -2.3221
 6    -14.3221  -14.3221       -3.9699   -3.9699       -2.4827   -2.4827
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1166    0.0000        2.8221    3.3103        6.2355    5.2931
 2     -3.2267   -3.3103       -3.4769   -3.0961       -2.7313   -3.3123
 3     -5.6785   -5.2931      -15.6396  -15.7838        3.2037    3.0961
 4      3.2858    3.0961       -0.0765    0.0000       -5.3954   -5.2931
 5     18.8923   19.0961        5.2334    5.2931        3.3017    3.3103
 6     -3.0556   -3.0961       -3.3713   -3.3103        0.2081    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.2210    0.0000       -2.2136   -2.4616      -11.8849  -12.0846
 2      2.0000    2.4616      -13.0159  -13.5903       -8.6588   -7.5061
 3     11.7731   12.0846        4.2891    4.0541       14.4664   13.5903
 4     13.8001   13.5903        0.0754    0.0000       11.7709   12.0846
 5      3.4889    3.4519      -12.1623  -12.0846       -1.9231   -2.4616
 6    -13.7108  -13.5903        2.2940    2.4616        0.2984    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      9.7736    9.5062       -7.7878   -7.9025       27.1665   26.6194
 2     27.2644   26.6939      -12.5808  -12.7641       26.6962   26.6194
 3     27.3081   26.6939       -7.7374   -7.9025       35.1099   35.3634
 4      4.0034    4.8616      -16.5146  -17.1878       -7.2457   -6.2634
 5      8.5438    8.7441       11.3556   11.3418       18.4256   17.1878
 6     -5.0392   -5.0784       -9.1567   -8.7441       -3.8857   -4.8616
 Full mass-weighted force constant matrix:
 Low frequencies ---   -5.4651   -2.9788    0.0009    0.0011    0.0012   13.4907
 Low frequencies ---   65.1584  100.3754  185.6660
 Diagonal vibrational polarizability:
       18.3332205      12.2401217      17.5770428
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     65.1563               100.3671               185.6656
 Red. masses --      4.0782                 3.1778                 4.3754
 Frc consts  --      0.0102                 0.0189                 0.0889
 IR Inten    --      1.4837                 1.1040                 4.3311
 RamAct Fr= 1--      0.8351                 0.4852                 0.8727
  Dep-P Fr= 1--      0.7493                 0.7488                 0.4751
  Dep-U Fr= 1--      0.8567                 0.8563                 0.6442
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0048
 Beta2  Fr= 1--      0.1192                 0.0692                 0.0937
 AlphaG Fr= 1--      0.0001                -0.0001                 0.0006
 Gamma2 Fr= 1--     -0.2661                 0.2402                 0.0507
 Delta2 Fr= 1--     -0.2232                 0.1888                 0.0318
 Raman1 Fr= 1--       3.340                  1.941                  3.491
 ROA1   Fr= 1--     -32.689                 29.104                  5.882
 CID1   Fr= 1--      -9.786                 14.996                  1.685
 Raman2 Fr= 1--       1.431                  0.831                  1.124
 ROA2   Fr= 1--      -4.601                  4.256                  0.962
 CID2   Fr= 1--      -3.216                  5.121                  0.856
 Raman3 Fr= 1--       2.862                  1.662                  2.249
 ROA3   Fr= 1--     -32.689                 29.104                  5.882
 CID3   Fr= 1--     -11.423                 17.512                  2.616
 RC180  Fr= 1--       0.713                  0.713                  0.288
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.22   0.06    -0.14  -0.12  -0.08    -0.21  -0.08   0.01
     2   6    -0.00   0.00   0.01    -0.03   0.02  -0.05    -0.07  -0.03   0.03
     3   6     0.00   0.00   0.01     0.01  -0.04   0.05    -0.04   0.09   0.10
     4   6     0.01  -0.03   0.06     0.01   0.01  -0.00     0.10   0.05   0.03
     5   8     0.16  -0.08  -0.14     0.18   0.07  -0.15     0.15  -0.02  -0.07
     6   6    -0.07  -0.08  -0.18     0.08   0.10   0.04    -0.20  -0.13  -0.03
     7   7    -0.00  -0.01  -0.05     0.00  -0.05   0.15    -0.03   0.09   0.03
     8   8    -0.12  -0.02   0.25    -0.12   0.01   0.04     0.27   0.05  -0.06
     9   1     0.02   0.03   0.02     0.07  -0.12   0.02    -0.05   0.12   0.11
    10   1     0.05  -0.10   0.13    -0.05   0.11  -0.16     0.06  -0.07  -0.04
    11   1     0.17  -0.07  -0.23     0.20   0.06  -0.14     0.03  -0.01  -0.00
    12   1    -0.01  -0.00   0.10    -0.01  -0.04   0.44    -0.02   0.08  -0.12
    13   1    -0.13  -0.04  -0.14    -0.17  -0.20   0.05     0.05   0.17   0.08
    14   1    -0.05  -0.06  -0.13     0.02   0.08  -0.13    -0.19  -0.20  -0.00
    15   1    -0.09   0.02  -0.35     0.05   0.01   0.23    -0.28  -0.05  -0.09
    16   1    -0.13  -0.28  -0.22     0.24   0.27   0.06    -0.25  -0.20  -0.05
    17   1     0.04   0.18   0.08    -0.17  -0.03  -0.13    -0.23  -0.30  -0.13
    18   1     0.11   0.30   0.19    -0.26  -0.21  -0.13    -0.06   0.01   0.05
    19   1    -0.05   0.35  -0.07    -0.06  -0.24   0.02    -0.44  -0.02   0.11
                      4                      5                      6
                      A                      A                      A
 Frequencies --    229.7088               253.1510               260.3132
 Red. masses --      1.0680                 1.2691                 1.4055
 Frc consts  --      0.0332                 0.0479                 0.0561
 IR Inten    --      0.2579                 4.1690                 6.3164
 RamAct Fr= 1--      0.0111                 0.0789                 0.2359
  Dep-P Fr= 1--      0.6860                 0.5821                 0.4845
  Dep-U Fr= 1--      0.8138                 0.7358                 0.6527
 Alpha2 Fr= 1--      0.0000                 0.0002                 0.0013
 Beta2  Fr= 1--      0.0015                 0.0097                 0.0257
 AlphaG Fr= 1--     -0.0005                -0.0018                -0.0016
 Gamma2 Fr= 1--     -0.0025                -0.0595                -0.0906
 Delta2 Fr= 1--      0.0021                -0.0347                 0.0098
 Raman1 Fr= 1--       0.045                  0.316                  0.944
 ROA1   Fr= 1--      -0.170                 -6.820                 -8.380
 CID1   Fr= 1--      -3.819                -21.615                 -8.880
 Raman2 Fr= 1--       0.018                  0.116                  0.308
 ROA2   Fr= 1--      -0.075                 -1.150                 -2.252
 CID2   Fr= 1--      -4.161                 -9.908                 -7.312
 Raman3 Fr= 1--       0.036                  0.232                  0.616
 ROA3   Fr= 1--      -0.170                 -6.820                 -8.380
 CID3   Fr= 1--      -4.692                -29.375                -13.606
 RC180  Fr= 1--       0.628                  0.472                  0.305
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.04  -0.03     0.08   0.01  -0.05     0.09  -0.03  -0.05
     2   6    -0.00   0.01  -0.02     0.02   0.03  -0.04    -0.00   0.01  -0.04
     3   6     0.00  -0.00  -0.00     0.02   0.01  -0.03     0.00   0.03  -0.02
     4   6    -0.00   0.00   0.00     0.01   0.00  -0.00     0.01   0.03   0.01
     5   8    -0.01   0.01   0.00    -0.02  -0.02   0.02    -0.02  -0.02   0.01
     6   6     0.03   0.03   0.01    -0.06  -0.00   0.02    -0.08  -0.03  -0.02
     7   7    -0.01  -0.01   0.03    -0.04  -0.02   0.04    -0.03   0.01   0.06
     8   8    -0.01   0.01   0.01     0.02   0.01   0.01     0.05   0.03   0.03
     9   1     0.02  -0.02  -0.01     0.06  -0.03  -0.04     0.05  -0.01  -0.03
    10   1    -0.01   0.02  -0.03     0.03   0.02  -0.05     0.02  -0.00  -0.04
    11   1     0.01   0.01  -0.02    -0.01  -0.01  -0.05    -0.02  -0.01  -0.07
    12   1    -0.01  -0.00   0.13    -0.09   0.02   0.33    -0.06   0.03   0.40
    13   1    -0.07  -0.06  -0.01    -0.22  -0.19  -0.06    -0.24  -0.18  -0.07
    14   1     0.17   0.24   0.44    -0.12  -0.18  -0.18    -0.03  -0.05   0.13
    15   1     0.32   0.08  -0.39    -0.24  -0.04   0.27    -0.06   0.02  -0.14
    16   1    -0.39  -0.22  -0.02     0.12   0.18   0.05    -0.24  -0.12  -0.03
    17   1     0.01  -0.31  -0.08     0.12  -0.39  -0.07     0.10   0.35   0.10
    18   1     0.22   0.09  -0.03     0.43   0.22  -0.03    -0.24  -0.25  -0.16
    19   1    -0.23   0.06   0.02    -0.24   0.19  -0.04     0.48  -0.23  -0.09
                      7                      8                      9
                      A                      A                      A
 Frequencies --    282.6595               338.2040               352.9728
 Red. masses --      1.5344                 3.8020                 2.4962
 Frc consts  --      0.0722                 0.2562                 0.1832
 IR Inten    --     13.4650                12.7816                 1.3585
 RamAct Fr= 1--      0.1405                 0.4446                 1.0235
  Dep-P Fr= 1--      0.7410                 0.3076                 0.6447
  Dep-U Fr= 1--      0.8513                 0.4705                 0.7840
 Alpha2 Fr= 1--      0.0000                 0.0045                 0.0019
 Beta2  Fr= 1--      0.0199                 0.0349                 0.1337
 AlphaG Fr= 1--      0.0012                 0.0002                -0.0003
 Gamma2 Fr= 1--      0.0443                 0.1822                -0.1827
 Delta2 Fr= 1--      0.0650                 0.2006                 0.0245
 Raman1 Fr= 1--       0.562                  1.779                  4.094
 ROA1   Fr= 1--       6.334                 23.913                -16.760
 CID1   Fr= 1--      11.272                 13.445                 -4.094
 Raman2 Fr= 1--       0.239                  0.418                  1.605
 ROA2   Fr= 1--       0.543                  2.768                 -4.582
 CID2   Fr= 1--       2.270                  6.617                 -2.855
 Raman3 Fr= 1--       0.478                  0.837                  3.209
 ROA3   Fr= 1--       6.334                 23.913                -16.760
 CID3   Fr= 1--      13.241                 28.579                 -5.222
 RC180  Fr= 1--       0.703                 -0.059                  0.568
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09   0.01   0.06    -0.04   0.05   0.00    -0.08   0.14  -0.08
     2   6     0.01  -0.03   0.04    -0.03  -0.04  -0.02     0.01   0.03  -0.09
     3   6     0.01  -0.01   0.02    -0.04   0.01  -0.05     0.08  -0.03  -0.04
     4   6     0.01   0.01   0.00    -0.05   0.03  -0.07     0.04  -0.06   0.00
     5   8    -0.04   0.01   0.04    -0.16  -0.19  -0.15     0.06   0.02   0.06
     6   6     0.04  -0.01   0.00     0.02   0.01   0.06    -0.14   0.01   0.17
     7   7     0.08   0.02  -0.12     0.22   0.11   0.16     0.09  -0.04  -0.03
     8   8     0.02   0.01  -0.03     0.05   0.05   0.05    -0.04  -0.07  -0.03
     9   1    -0.05   0.02   0.04    -0.07  -0.15  -0.10     0.15  -0.02  -0.04
    10   1     0.02  -0.03   0.04    -0.06  -0.04   0.01     0.02   0.04  -0.11
    11   1     0.11   0.01  -0.17    -0.32  -0.17  -0.37     0.12   0.01   0.09
    12   1     0.10  -0.02   0.57     0.40  -0.06   0.25     0.11  -0.06  -0.05
    13   1    -0.45  -0.16  -0.51     0.30   0.15   0.21     0.10  -0.02  -0.02
    14   1     0.03   0.02  -0.03     0.03   0.03   0.08    -0.02  -0.18   0.43
    15   1     0.05  -0.02   0.01     0.08  -0.06   0.13    -0.12  -0.02   0.20
    16   1     0.09  -0.02  -0.00     0.01   0.11   0.08    -0.45   0.17   0.22
    17   1    -0.13   0.04  -0.03    -0.05   0.07  -0.02    -0.12   0.29  -0.14
    18   1    -0.13   0.01   0.14    -0.03   0.09   0.11    -0.18   0.12   0.08
    19   1    -0.12   0.02   0.07    -0.08   0.12  -0.06    -0.05   0.17  -0.16
                     10                     11                     12
                      A                      A                      A
 Frequencies --    431.8771               468.6452               542.9599
 Red. masses --      3.2835                 2.8717                 4.8056
 Frc consts  --      0.3608                 0.3716                 0.8347
 IR Inten    --      0.8990                 1.7200                 3.0389
 RamAct Fr= 1--      1.3015                 0.4067                 6.1279
  Dep-P Fr= 1--      0.6881                 0.5571                 0.0568
  Dep-U Fr= 1--      0.8153                 0.7155                 0.1074
 Alpha2 Fr= 1--      0.0014                 0.0015                 0.1191
 Beta2  Fr= 1--      0.1768                 0.0485                 0.1097
 AlphaG Fr= 1--      0.0000                -0.0000                -0.0051
 Gamma2 Fr= 1--      0.1209                -0.1987                 0.6823
 Delta2 Fr= 1--     -0.3016                 0.0162                 0.2223
 Raman1 Fr= 1--       5.206                  1.627                 24.512
 ROA1   Fr= 1--       1.951                -18.558                 72.617
 CID1   Fr= 1--       0.375                -11.408                  2.963
 Raman2 Fr= 1--       2.122                  0.582                  1.316
 ROA2   Fr= 1--       5.314                 -4.898                 14.598
 CID2   Fr= 1--       2.504                 -8.417                 11.089
 Raman3 Fr= 1--       4.244                  1.164                  2.633
 ROA3   Fr= 1--       1.951                -18.558                 72.617
 CID3   Fr= 1--       0.460                -15.944                 27.581
 RC180  Fr= 1--       0.631                  0.431                 -0.785
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09  -0.05  -0.01    -0.05  -0.06   0.09     0.01   0.03  -0.07
     2   6    -0.13   0.10   0.03     0.18   0.19   0.11     0.09  -0.06  -0.05
     3   6    -0.07  -0.01   0.11     0.13   0.06  -0.05     0.02   0.19   0.09
     4   6    -0.03  -0.10   0.08     0.08  -0.02  -0.10    -0.02  -0.06   0.13
     5   8     0.06  -0.04   0.04    -0.05  -0.08  -0.01     0.06  -0.14   0.01
     6   6    -0.12   0.15  -0.09    -0.07   0.03  -0.03     0.13  -0.13   0.03
     7   7     0.17   0.08  -0.00     0.01   0.00   0.02    -0.12   0.26   0.06
     8   8    -0.04  -0.13  -0.10    -0.11  -0.03  -0.02    -0.15  -0.10  -0.18
     9   1    -0.00   0.04   0.12     0.04  -0.01  -0.07     0.11   0.37   0.14
    10   1    -0.16   0.13   0.02     0.21   0.17   0.10     0.22  -0.10  -0.13
    11   1     0.14  -0.04  -0.03    -0.10  -0.07  -0.09    -0.11  -0.12  -0.09
    12   1     0.34  -0.09   0.12    -0.07   0.07  -0.02    -0.16   0.30   0.19
    13   1     0.02   0.26  -0.16     0.06  -0.09   0.08    -0.14   0.13   0.08
    14   1    -0.16   0.17  -0.17    -0.05  -0.21  -0.05     0.15  -0.08   0.09
    15   1    -0.17   0.20  -0.13    -0.33   0.25  -0.17     0.21  -0.19   0.06
    16   1    -0.04   0.05  -0.11    -0.13  -0.19  -0.07     0.10  -0.05   0.05
    17   1     0.19  -0.21   0.22    -0.15  -0.13  -0.20    -0.02   0.15  -0.13
    18   1     0.23  -0.04  -0.29    -0.16  -0.16  -0.03    -0.05   0.04   0.12
    19   1     0.17  -0.11   0.02    -0.15  -0.24   0.43    -0.00   0.10  -0.15
                     13                     14                     15
                      A                      A                      A
 Frequencies --    657.7769               742.1711               804.2921
 Red. masses --      4.7487                 4.4488                 2.4578
 Frc consts  --      1.2105                 1.4438                 0.9367
 IR Inten    --      8.8674                10.0187                30.6583
 RamAct Fr= 1--      1.5671                 7.6898                 6.1508
  Dep-P Fr= 1--      0.7458                 0.0380                 0.0710
  Dep-U Fr= 1--      0.8544                 0.0731                 0.1325
 Alpha2 Fr= 1--      0.0001                 0.1563                 0.1155
 Beta2  Fr= 1--      0.2232                 0.0937                 0.1359
 AlphaG Fr= 1--     -0.0002                -0.0026                -0.0930
 Gamma2 Fr= 1--     -1.1069                -1.3392                 0.2903
 Delta2 Fr= 1--     -0.0318                -0.1141                -0.0131
 Raman1 Fr= 1--       6.269                 30.759                 24.603
 ROA1   Fr= 1--    -107.277               -132.210                 27.449
 CID1   Fr= 1--     -17.114                 -4.298                  1.116
 Raman2 Fr= 1--       2.678                  1.125                  1.631
 ROA2   Fr= 1--     -26.310                -31.227                  7.072
 CID2   Fr= 1--      -9.825                -27.764                  4.337
 Raman3 Fr= 1--       5.356                  2.249                  3.261
 ROA3   Fr= 1--    -107.277               -132.210                 27.449
 CID3   Fr= 1--     -20.031                -58.774                  8.417
 RC180  Fr= 1--       0.709                 -0.854                 -0.735
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02  -0.06    -0.04  -0.04   0.08     0.01  -0.04   0.14
     2   6     0.07   0.04  -0.02    -0.19  -0.11  -0.02    -0.00  -0.04  -0.06
     3   6     0.09  -0.03   0.27     0.09   0.04  -0.03     0.06  -0.00  -0.17
     4   6    -0.10   0.16   0.22     0.30   0.13  -0.10    -0.13   0.02   0.18
     5   8    -0.04  -0.12  -0.09     0.06  -0.15   0.13     0.06  -0.01  -0.03
     6   6    -0.01   0.02   0.00    -0.07   0.04  -0.02    -0.05   0.07  -0.03
     7   7     0.04  -0.23  -0.05    -0.00  -0.04  -0.01    -0.02   0.00  -0.07
     8   8    -0.03   0.17  -0.12    -0.15   0.13  -0.05     0.02   0.02  -0.05
     9   1     0.27   0.03   0.28     0.02  -0.03  -0.05     0.28   0.16  -0.13
    10   1     0.07   0.07  -0.07    -0.07  -0.14  -0.09    -0.08  -0.04   0.04
    11   1    -0.26  -0.09  -0.31    -0.17  -0.10  -0.19    -0.28  -0.01   0.21
    12   1    -0.14  -0.06  -0.43    -0.08   0.04  -0.07     0.09  -0.09   0.36
    13   1    -0.13   0.03  -0.25     0.08  -0.14   0.07     0.34  -0.36   0.31
    14   1     0.03  -0.14   0.07    -0.12   0.41  -0.05    -0.04   0.10  -0.02
    15   1    -0.11   0.08  -0.01     0.23  -0.15   0.03    -0.01   0.03   0.01
    16   1    -0.11   0.01   0.01     0.07   0.15  -0.01    -0.05   0.13  -0.01
    17   1     0.03   0.02  -0.04     0.08  -0.02   0.42    -0.03  -0.00   0.06
    18   1     0.03   0.02  -0.09     0.11   0.05   0.09    -0.04  -0.05   0.26
    19   1     0.04   0.01  -0.05     0.10   0.08  -0.21    -0.05  -0.02   0.16
                     16                     17                     18
                      A                      A                      A
 Frequencies --    844.1253               867.5843               920.4063
 Red. masses --      2.0377                 1.1752                 1.8060
 Frc consts  --      0.8555                 0.5212                 0.9014
 IR Inten    --     15.7014                73.4120                74.4035
 RamAct Fr= 1--      2.1539                 1.1885                 0.9715
  Dep-P Fr= 1--      0.7358                 0.1411                 0.2238
  Dep-U Fr= 1--      0.8478                 0.2474                 0.3658
 Alpha2 Fr= 1--      0.0005                 0.0188                 0.0124
 Beta2  Fr= 1--      0.3043                 0.0490                 0.0592
 AlphaG Fr= 1--      0.0002                 0.0731                -0.0209
 Gamma2 Fr= 1--      0.6683                 0.1710                -0.2352
 Delta2 Fr= 1--      0.2758                 0.1601                -0.0064
 Raman1 Fr= 1--       8.616                  4.754                  3.886
 ROA1   Fr= 1--      72.985                 21.542                -22.784
 CID1   Fr= 1--       8.471                  4.531                 -5.863
 Raman2 Fr= 1--       3.652                  0.588                  0.711
 ROA2   Fr= 1--      13.834                  2.823                 -5.594
 CID2   Fr= 1--       3.788                  4.802                 -7.871
 Raman3 Fr= 1--       7.304                  1.176                  1.421
 ROA3   Fr= 1--      72.985                 21.542                -22.784
 CID3   Fr= 1--       9.992                 18.318                -16.029
 RC180  Fr= 1--       0.696                 -0.505                 -0.268
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.05   0.10    -0.01   0.00  -0.02    -0.02  -0.05   0.01
     2   6    -0.03  -0.05  -0.05    -0.01   0.00   0.01     0.03  -0.03  -0.01
     3   6     0.13   0.10   0.01     0.03   0.00   0.06     0.07  -0.03   0.15
     4   6    -0.05  -0.07  -0.02     0.03  -0.01  -0.05     0.04  -0.03  -0.05
     5   8    -0.07   0.05  -0.07     0.00   0.01  -0.05    -0.08   0.04  -0.04
     6   6    -0.05   0.04  -0.03    -0.00  -0.00   0.00    -0.01   0.06  -0.01
     7   7     0.06  -0.01   0.07     0.03   0.01  -0.03    -0.08   0.03  -0.08
     8   8     0.03  -0.07   0.02    -0.01  -0.01   0.02     0.01  -0.03   0.02
     9   1     0.25   0.10   0.01    -0.02   0.03   0.08    -0.01   0.10   0.19
    10   1     0.13  -0.09  -0.14     0.04   0.01  -0.04     0.13   0.09  -0.28
    11   1     0.18   0.03  -0.02    -0.64  -0.01   0.72     0.14   0.04  -0.23
    12   1    -0.37   0.38  -0.36    -0.00   0.03   0.13     0.20  -0.21   0.31
    13   1    -0.31  -0.03  -0.25    -0.09  -0.03  -0.11     0.37  -0.06   0.34
    14   1    -0.05   0.20   0.01    -0.01   0.01  -0.01     0.00  -0.07   0.00
    15   1     0.12  -0.09   0.04     0.00   0.00  -0.01    -0.11   0.13  -0.04
    16   1    -0.03   0.19  -0.00     0.01  -0.02  -0.00    -0.08   0.01  -0.02
    17   1     0.02   0.03   0.21     0.03  -0.01   0.06     0.05   0.09   0.22
    18   1     0.03   0.00   0.22     0.02   0.01  -0.03     0.09   0.06   0.23
    19   1     0.03   0.05  -0.06     0.02   0.02  -0.07     0.05   0.13  -0.30
                     19                     20                     21
                      A                      A                      A
 Frequencies --    940.1008               951.7660               976.8342
 Red. masses --      1.5866                 1.5169                 1.4812
 Frc consts  --      0.8262                 0.8096                 0.8327
 IR Inten    --     28.3909                 0.8385                 2.2908
 RamAct Fr= 1--      3.6634                 2.4925                 2.8221
  Dep-P Fr= 1--      0.4920                 0.7325                 0.7467
  Dep-U Fr= 1--      0.6595                 0.8456                 0.8550
 Alpha2 Fr= 1--      0.0188                 0.0007                 0.0002
 Beta2  Fr= 1--      0.4027                 0.3513                 0.4021
 AlphaG Fr= 1--     -0.0123                 0.0040                -0.0009
 Gamma2 Fr= 1--     -1.0349                 0.6829                 0.3599
 Delta2 Fr= 1--     -0.8912                 0.3973                 0.3666
 Raman1 Fr= 1--      14.653                  9.970                 11.288
 ROA1   Fr= 1--    -127.874                 78.275                 46.281
 CID1   Fr= 1--      -8.727                  7.851                  4.100
 Raman2 Fr= 1--       4.832                  4.215                  4.826
 ROA2   Fr= 1--     -17.709                 13.212                  5.704
 CID2   Fr= 1--      -3.665                  3.134                  1.182
 Raman3 Fr= 1--       9.664                  8.431                  9.651
 ROA3   Fr= 1--    -127.874                 78.275                 46.281
 CID3   Fr= 1--     -13.231                  9.284                  4.795
 RC180  Fr= 1--       0.319                  0.691                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.09   0.03     0.02   0.02   0.09    -0.09  -0.00   0.07
     2   6     0.08  -0.05  -0.05     0.06  -0.01  -0.09    -0.05   0.07  -0.05
     3   6    -0.10  -0.04  -0.02    -0.05  -0.05   0.06     0.00  -0.01  -0.04
     4   6     0.01   0.02  -0.01     0.03   0.01  -0.03    -0.02   0.00   0.01
     5   8     0.04  -0.03   0.04     0.00  -0.01   0.01     0.01  -0.01   0.01
     6   6     0.00   0.09  -0.01    -0.01   0.02  -0.11     0.12  -0.05  -0.01
     7   7     0.00   0.02   0.04    -0.03   0.03  -0.00     0.01   0.01   0.01
     8   8    -0.01   0.03  -0.00    -0.01   0.01   0.01     0.00   0.01  -0.00
     9   1    -0.13  -0.15  -0.06    -0.05  -0.10   0.04     0.03  -0.02  -0.05
    10   1    -0.08   0.14  -0.21     0.16  -0.19   0.10    -0.18   0.24  -0.20
    11   1    -0.07  -0.02   0.10    -0.04  -0.00   0.03    -0.00  -0.01   0.02
    12   1    -0.02   0.03  -0.14     0.09  -0.09   0.02    -0.05   0.07  -0.05
    13   1    -0.22   0.22  -0.19    -0.06   0.19  -0.05    -0.04  -0.01  -0.04
    14   1     0.01  -0.17  -0.04     0.14  -0.12   0.25     0.19  -0.51   0.10
    15   1    -0.24   0.27  -0.09     0.10  -0.23   0.24    -0.20   0.09   0.04
    16   1    -0.10  -0.07  -0.03    -0.32   0.58   0.02    -0.17  -0.07   0.00
    17   1    -0.04   0.20  -0.11    -0.01  -0.11  -0.03     0.10  -0.12   0.54
    18   1    -0.03   0.00   0.58    -0.04  -0.06  -0.10     0.16   0.08  -0.19
    19   1    -0.10   0.18  -0.22     0.01  -0.14   0.32     0.16  -0.01  -0.11
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1079.1748              1094.5876              1127.2108
 Red. masses --      3.3100                 1.6390                 1.5110
 Frc consts  --      2.2713                 1.1570                 1.1312
 IR Inten    --      8.9736                11.4462                 1.7731
 RamAct Fr= 1--      1.8105                 5.2430                 1.1614
  Dep-P Fr= 1--      0.4591                 0.6699                 0.7125
  Dep-U Fr= 1--      0.6293                 0.8024                 0.8321
 Alpha2 Fr= 1--      0.0107                 0.0074                 0.0008
 Beta2  Fr= 1--      0.1899                 0.7011                 0.1611
 AlphaG Fr= 1--      0.0007                -0.0060                -0.0028
 Gamma2 Fr= 1--     -0.8927                -1.3459                 1.0164
 Delta2 Fr= 1--     -0.0635                -1.6975                 0.7039
 Raman1 Fr= 1--       7.242                 20.972                  4.645
 ROA1   Fr= 1--     -87.726               -183.529                120.097
 CID1   Fr= 1--     -12.113                 -8.751                 25.853
 Raman2 Fr= 1--       2.279                  8.413                  1.933
 ROA2   Fr= 1--     -20.916                -18.722                 18.762
 CID2   Fr= 1--      -9.179                 -2.225                  9.708
 Raman3 Fr= 1--       4.558                 16.827                  3.865
 ROA3   Fr= 1--     -87.726               -183.529                120.097
 CID3   Fr= 1--     -19.248                -10.907                 31.069
 RC180  Fr= 1--       0.259                  0.605                  0.664
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.04   0.06     0.05   0.01   0.07    -0.07  -0.02   0.01
     2   6     0.01   0.11  -0.08    -0.08   0.07  -0.11     0.09   0.09  -0.01
     3   6    -0.20   0.28  -0.01     0.03  -0.06   0.03     0.02  -0.06  -0.04
     4   6     0.05  -0.02  -0.00     0.08  -0.00   0.01    -0.07   0.01   0.01
     5   8    -0.01   0.03   0.00    -0.04   0.02  -0.03     0.03  -0.02   0.01
     6   6     0.02  -0.08  -0.01     0.01  -0.06   0.06    -0.07  -0.05   0.03
     7   7     0.05  -0.21   0.01    -0.05   0.03  -0.00    -0.03   0.02   0.01
     8   8    -0.01  -0.04   0.00    -0.00  -0.01   0.01     0.01   0.02  -0.01
     9   1    -0.11   0.40   0.03     0.61  -0.08  -0.04    -0.07  -0.29  -0.11
    10   1     0.24   0.12  -0.31    -0.26   0.14  -0.05     0.43   0.03  -0.25
    11   1    -0.07   0.02  -0.01    -0.09   0.02  -0.06     0.04  -0.02   0.08
    12   1     0.29  -0.44   0.10     0.18  -0.18  -0.01     0.15  -0.15   0.00
    13   1     0.13  -0.05   0.03    -0.10   0.36  -0.10    -0.09   0.28  -0.09
    14   1     0.03   0.05   0.03    -0.06   0.05  -0.10    -0.12   0.36  -0.04
    15   1     0.17  -0.18   0.03     0.07  -0.03  -0.08     0.23  -0.17  -0.05
    16   1     0.08   0.03   0.01     0.17  -0.25   0.01     0.22  -0.02   0.02
    17   1    -0.02   0.09  -0.01    -0.04   0.01  -0.18     0.05   0.00   0.32
    18   1    -0.01  -0.01   0.24    -0.10  -0.07   0.13     0.13   0.08  -0.04
    19   1    -0.04   0.05   0.00    -0.09  -0.03   0.24     0.11   0.02  -0.17
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1190.8111              1210.6104              1250.3467
 Red. masses --      2.3767                 1.9921                 1.5617
 Frc consts  --      1.9857                 1.7202                 1.4385
 IR Inten    --     26.6574                 2.2117                 3.8816
 RamAct Fr= 1--      4.1140                 3.5807                 3.6698
  Dep-P Fr= 1--      0.6681                 0.3780                 0.5552
  Dep-U Fr= 1--      0.8011                 0.5486                 0.7140
 Alpha2 Fr= 1--      0.0060                 0.0286                 0.0136
 Beta2  Fr= 1--      0.5492                 0.3274                 0.4367
 AlphaG Fr= 1--     -0.0030                 0.0027                 0.0057
 Gamma2 Fr= 1--      1.9336                 0.3331                -2.2294
 Delta2 Fr= 1--      1.8743                 0.2856                -1.2572
 Raman1 Fr= 1--      16.456                 14.323                 14.679
 ROA1   Fr= 1--     245.602                 41.117               -254.248
 CID1   Fr= 1--      14.925                  2.871                -17.320
 Raman2 Fr= 1--       6.591                  3.929                  5.241
 ROA2   Fr= 1--      31.412                  5.710                -43.447
 CID2   Fr= 1--       4.766                  1.453                 -8.291
 Raman3 Fr= 1--      13.182                  7.858                 10.481
 ROA3   Fr= 1--     245.602                 41.117               -254.248
 CID3   Fr= 1--      18.632                  5.232                -24.258
 RC180  Fr= 1--       0.602                  0.097                  0.428
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.02  -0.03     0.02  -0.11  -0.06    -0.02  -0.03  -0.03
     2   6     0.09  -0.10   0.05    -0.05   0.15   0.14    -0.03  -0.03   0.08
     3   6    -0.04   0.02  -0.10     0.03  -0.04  -0.04     0.04   0.08  -0.01
     4   6     0.16   0.00   0.15     0.04   0.00   0.07    -0.10  -0.01  -0.10
     5   8    -0.06   0.08  -0.06    -0.02   0.03  -0.02     0.03  -0.05   0.02
     6   6    -0.00   0.07   0.01     0.00  -0.08  -0.10     0.04   0.03  -0.02
     7   7    -0.04  -0.02   0.04     0.00   0.02  -0.00    -0.04  -0.03   0.02
     8   8    -0.01  -0.07  -0.00     0.00  -0.02  -0.00     0.00   0.04   0.00
     9   1     0.17   0.06  -0.10     0.06  -0.09  -0.05     0.54   0.14  -0.04
    10   1     0.09  -0.24   0.27    -0.20   0.17   0.25     0.09  -0.23   0.28
    11   1    -0.37   0.09  -0.26    -0.15   0.03  -0.11     0.25  -0.07   0.24
    12   1     0.19  -0.24  -0.08    -0.02   0.03  -0.03     0.27  -0.32   0.07
    13   1    -0.18   0.30  -0.15    -0.01   0.02  -0.02    -0.09   0.31  -0.08
    14   1    -0.02  -0.02  -0.04     0.12  -0.02   0.23     0.07  -0.12   0.04
    15   1    -0.12   0.17  -0.05     0.14  -0.32   0.21    -0.12   0.08   0.06
    16   1    -0.04  -0.01  -0.00    -0.10   0.33  -0.01    -0.12   0.03  -0.01
    17   1     0.04  -0.10   0.27    -0.02   0.25  -0.05    -0.01   0.04   0.01
    18   1     0.09   0.07  -0.23     0.04   0.02   0.36     0.03   0.02   0.01
    19   1     0.13  -0.03  -0.14    -0.12   0.19  -0.36     0.00   0.05  -0.16
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1304.1075              1344.0115              1372.9483
 Red. masses --      1.6053                 1.2774                 1.4136
 Frc consts  --      1.6086                 1.3596                 1.5699
 IR Inten    --      7.6546                12.1445                 8.7819
 RamAct Fr= 1--      3.3401                 4.1159                 2.6601
  Dep-P Fr= 1--      0.6107                 0.4848                 0.5006
  Dep-U Fr= 1--      0.7583                 0.6530                 0.6672
 Alpha2 Fr= 1--      0.0086                 0.0218                 0.0131
 Beta2  Fr= 1--      0.4221                 0.4480                 0.2958
 AlphaG Fr= 1--     -0.0197                -0.0406                -0.0002
 Gamma2 Fr= 1--      0.3132                 0.0415                 1.4029
 Delta2 Fr= 1--      1.0291                 0.2368                -0.9013
 Raman1 Fr= 1--      13.360                 16.464                 10.641
 ROA1   Fr= 1--      62.995                 11.560                105.841
 CID1   Fr= 1--       4.715                  0.702                  9.947
 Raman2 Fr= 1--       5.066                  5.376                  3.550
 ROA2   Fr= 1--      -0.717                 -0.899                 40.881
 CID2   Fr= 1--      -0.142                 -0.167                 11.517
 Raman3 Fr= 1--      10.131                 10.751                  7.099
 ROA3   Fr= 1--      62.995                 11.560                105.841
 CID3   Fr= 1--       6.218                  1.075                 14.909
 RC180  Fr= 1--       0.517                  0.306                  0.334
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.02  -0.00     0.02   0.03  -0.00    -0.01   0.04   0.01
     2   6     0.13   0.03  -0.04     0.01  -0.05   0.05     0.06  -0.09   0.10
     3   6    -0.12  -0.09   0.02     0.08  -0.05  -0.06    -0.06   0.06   0.02
     4   6     0.01  -0.00  -0.06    -0.00  -0.00   0.01    -0.02   0.00  -0.02
     5   8    -0.00  -0.01   0.01    -0.01  -0.01  -0.01     0.02   0.01   0.02
     6   6    -0.05  -0.02   0.01    -0.02  -0.02  -0.03    -0.03  -0.02  -0.04
     7   7     0.04   0.02   0.00    -0.03  -0.01   0.05     0.00   0.00  -0.03
     8   8    -0.01   0.03   0.01    -0.00   0.02  -0.00     0.00  -0.02   0.01
     9   1     0.43   0.56   0.19    -0.30   0.58   0.19     0.46  -0.38  -0.17
    10   1    -0.27   0.05   0.31    -0.26   0.36  -0.32    -0.24   0.44  -0.42
    11   1     0.08  -0.02   0.04     0.09  -0.02   0.09    -0.10   0.02  -0.08
    12   1    -0.14   0.18  -0.02     0.15  -0.18  -0.00    -0.04   0.05   0.02
    13   1     0.04  -0.21   0.05    -0.13   0.23  -0.09     0.06  -0.06   0.03
    14   1    -0.05   0.13   0.00    -0.01   0.12   0.03     0.02   0.14   0.11
    15   1     0.11  -0.06  -0.06    -0.00  -0.06   0.03    -0.04  -0.06   0.05
    16   1     0.13   0.03   0.01    -0.04   0.12   0.00    -0.00   0.15  -0.01
    17   1     0.00   0.00   0.15     0.01  -0.07  -0.05    -0.03  -0.09  -0.13
    18   1     0.12   0.08  -0.01    -0.06  -0.02  -0.04     0.01   0.01  -0.19
    19   1     0.10  -0.01  -0.14     0.01  -0.03   0.09     0.11  -0.01  -0.02
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1381.2699              1411.7578              1413.6579
 Red. masses --      1.3360                 1.4691                 1.3259
 Frc consts  --      1.5019                 1.7252                 1.5611
 IR Inten    --     54.1259               185.1708               124.5755
 RamAct Fr= 1--      3.4682                 1.9015                 0.7325
  Dep-P Fr= 1--      0.7309                 0.2638                 0.1974
  Dep-U Fr= 1--      0.8445                 0.4174                 0.3297
 Alpha2 Fr= 1--      0.0011                 0.0217                 0.0100
 Beta2  Fr= 1--      0.4882                 0.1323                 0.0402
 AlphaG Fr= 1--     -0.0045                 0.0156                 0.0094
 Gamma2 Fr= 1--      0.6568                -0.8099                -0.1762
 Delta2 Fr= 1--     -0.3849                -0.6290                -0.2305
 Raman1 Fr= 1--      13.873                  7.606                  2.930
 ROA1   Fr= 1--      50.733                -97.877                -24.287
 CID1   Fr= 1--       3.657                -12.869                 -8.289
 Raman2 Fr= 1--       5.858                  1.587                  0.483
 ROA2   Fr= 1--      18.841                -14.405                 -2.384
 CID2   Fr= 1--       3.216                 -9.074                 -4.936
 Raman3 Fr= 1--      11.716                  3.175                  0.966
 ROA3   Fr= 1--      50.733                -97.877                -24.287
 CID3   Fr= 1--       4.330                -30.830                -25.143
 RC180  Fr= 1--       0.689                 -0.165                 -0.341
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.01   0.01     0.01  -0.01   0.07    -0.01  -0.03   0.07
     2   6    -0.07   0.02   0.07    -0.02   0.01   0.02     0.00   0.02  -0.04
     3   6    -0.05  -0.10  -0.03    -0.05  -0.03  -0.02     0.04   0.01   0.02
     4   6    -0.01  -0.00  -0.03     0.09  -0.01   0.08    -0.05   0.01  -0.04
     5   8     0.02   0.02   0.02    -0.06  -0.02  -0.06     0.04   0.01   0.03
     6   6     0.02   0.02  -0.01     0.03  -0.03   0.01     0.05  -0.08   0.03
     7   7     0.02   0.02   0.01     0.01   0.02  -0.00    -0.01  -0.01   0.00
     8   8     0.01  -0.00   0.01    -0.02   0.04  -0.02     0.01  -0.03   0.01
     9   1     0.28   0.34   0.09     0.07  -0.05  -0.04    -0.12   0.05   0.05
    10   1     0.60  -0.12  -0.39     0.20  -0.04  -0.13    -0.10  -0.05   0.17
    11   1    -0.29   0.06  -0.26     0.51  -0.11   0.46    -0.31   0.07  -0.27
    12   1    -0.06   0.08  -0.07    -0.01   0.03  -0.01     0.01  -0.02   0.01
    13   1    -0.03  -0.10  -0.01     0.01  -0.12   0.02    -0.01   0.06  -0.01
    14   1     0.04  -0.09   0.03    -0.02   0.13  -0.06    -0.07   0.36  -0.17
    15   1    -0.04   0.00   0.09    -0.14   0.11  -0.05    -0.28   0.23  -0.17
    16   1    -0.05  -0.09  -0.02    -0.12   0.12   0.04    -0.20   0.29   0.10
    17   1    -0.02   0.01  -0.12    -0.12   0.08  -0.27    -0.13   0.08  -0.26
    18   1    -0.05  -0.05  -0.08     0.04  -0.08  -0.33     0.11  -0.03  -0.26
    19   1    -0.04   0.06  -0.01     0.00   0.20  -0.24     0.07   0.15  -0.27
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1434.4863              1490.7957              1494.9096
 Red. masses --      1.2343                 1.0395                 1.0530
 Frc consts  --      1.4965                 1.3611                 1.3865
 IR Inten    --     11.8249                 0.3869                 3.5180
 RamAct Fr= 1--      0.9619                 9.7863                 0.6885
  Dep-P Fr= 1--      0.3724                 0.7499                 0.6679
  Dep-U Fr= 1--      0.5427                 0.8571                 0.8009
 Alpha2 Fr= 1--      0.0078                 0.0000                 0.0010
 Beta2  Fr= 1--      0.0870                 1.3980                 0.0919
 AlphaG Fr= 1--      0.0019                 0.0004                -0.0048
 Gamma2 Fr= 1--     -0.0127                 0.2382                -0.5219
 Delta2 Fr= 1--      0.0126                 0.2882                -0.2331
 Raman1 Fr= 1--       3.848                 39.145                  2.754
 ROA1   Fr= 1--      -0.819                 32.090                -57.558
 CID1   Fr= 1--      -0.213                  0.820                -20.901
 Raman2 Fr= 1--       1.044                 16.775                  1.103
 ROA2   Fr= 1--      -0.407                  3.411                -10.660
 CID2   Fr= 1--      -0.390                  0.203                 -9.666
 Raman3 Fr= 1--       2.088                 33.551                  2.206
 ROA3   Fr= 1--      -0.819                 32.090                -57.558
 CID3   Fr= 1--      -0.392                  0.956                -26.096
 RC180  Fr= 1--       0.085                  0.714                  0.602
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.09     0.03   0.02   0.01    -0.03   0.01   0.01
     2   6    -0.01   0.01   0.02    -0.00   0.00  -0.01    -0.01   0.01  -0.03
     3   6    -0.03  -0.01  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6     0.02   0.00   0.01    -0.00  -0.00  -0.00     0.01   0.01   0.01
     5   8    -0.01  -0.00  -0.01     0.00   0.00   0.00    -0.00   0.00  -0.00
     6   6     0.06  -0.08   0.01    -0.03  -0.02  -0.01     0.01   0.00  -0.04
     7   7     0.01   0.01  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     8   8    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     9   1     0.12  -0.02  -0.01    -0.01   0.01   0.00    -0.06   0.01   0.01
    10   1     0.11  -0.02  -0.07     0.02  -0.05   0.05     0.03  -0.06   0.05
    11   1     0.08  -0.01   0.06    -0.00   0.00  -0.02     0.02  -0.00   0.02
    12   1    -0.03   0.04  -0.01     0.00  -0.01  -0.00    -0.01   0.01   0.00
    13   1     0.02  -0.06   0.02    -0.00  -0.00  -0.00     0.00   0.01   0.00
    14   1    -0.04   0.39  -0.10     0.15  -0.04   0.42     0.12   0.33   0.35
    15   1    -0.35   0.22  -0.10    -0.16   0.20  -0.24    -0.38  -0.01   0.39
    16   1    -0.22   0.28   0.09     0.49   0.20   0.01     0.13  -0.31  -0.09
    17   1     0.16  -0.05   0.35     0.09  -0.27   0.12    -0.07  -0.20  -0.21
    18   1    -0.11   0.05   0.36    -0.38  -0.23  -0.04     0.09   0.12   0.20
    19   1    -0.12  -0.20   0.33    -0.13   0.22  -0.17     0.37  -0.15  -0.07
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1507.6131              1513.9948              1656.1238
 Red. masses --      1.0446                 1.0564                 1.0912
 Frc consts  --      1.3988                 1.4266                 1.7634
 IR Inten    --      9.4583                12.4635                47.2885
 RamAct Fr= 1--      7.9153                 1.1696                 3.3266
  Dep-P Fr= 1--      0.7494                 0.7350                 0.5711
  Dep-U Fr= 1--      0.8567                 0.8472                 0.7270
 Alpha2 Fr= 1--      0.0001                 0.0003                 0.0112
 Beta2  Fr= 1--      1.1302                 0.1652                 0.4031
 AlphaG Fr= 1--      0.0003                 0.0004                -0.0191
 Gamma2 Fr= 1--      1.7614                 0.0790                -0.6082
 Delta2 Fr= 1--      0.0762                 0.0898                -0.3401
 Raman1 Fr= 1--      31.661                  4.678                 13.306
 ROA1   Fr= 1--     171.527                 10.454                -69.267
 CID1   Fr= 1--       5.418                  2.235                 -5.206
 Raman2 Fr= 1--      13.563                  1.982                  4.837
 ROA2   Fr= 1--      41.663                  1.177                -11.875
 CID2   Fr= 1--       3.072                  0.594                 -2.455
 Raman3 Fr= 1--      27.125                  3.964                  9.674
 ROA3   Fr= 1--     171.527                 10.454                -69.267
 CID3   Fr= 1--       6.324                  2.637                 -7.160
 RC180  Fr= 1--       0.713                  0.694                  0.454
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.04  -0.00     0.03   0.00   0.01     0.00  -0.00   0.00
     2   6     0.00  -0.03  -0.02     0.04   0.00  -0.02    -0.00  -0.00   0.00
     3   6     0.00   0.00   0.00    -0.01   0.00   0.01    -0.01  -0.01  -0.02
     4   6    -0.00   0.00  -0.00    -0.01   0.00  -0.01     0.01  -0.00   0.01
     5   8     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.01   0.00  -0.02     0.02   0.02  -0.02     0.00   0.00  -0.00
     7   7    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.02  -0.07  -0.02
     8   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     9   1    -0.02   0.01   0.01     0.00  -0.01  -0.00     0.01   0.05  -0.01
    10   1    -0.02  -0.01  -0.03    -0.08   0.03   0.06     0.03  -0.02  -0.02
    11   1    -0.02   0.00  -0.01    -0.01   0.00  -0.02     0.03  -0.00   0.01
    12   1     0.01  -0.01  -0.00    -0.00   0.00   0.01    -0.41   0.36   0.44
    13   1    -0.01  -0.01  -0.01     0.01  -0.00   0.00     0.25   0.65   0.06
    14   1     0.10   0.11   0.30    -0.05   0.25  -0.11     0.00  -0.01   0.01
    15   1    -0.21   0.06   0.08    -0.08  -0.17   0.41    -0.01   0.01  -0.00
    16   1     0.24  -0.08  -0.04    -0.28  -0.34  -0.06     0.00   0.00   0.00
    17   1    -0.02   0.59   0.13     0.12  -0.08   0.25    -0.00   0.02   0.00
    18   1     0.30   0.08  -0.29    -0.35  -0.26  -0.19     0.00  -0.00  -0.02
    19   1    -0.37  -0.00   0.28    -0.33   0.28  -0.11    -0.02   0.01   0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1834.5192              2985.8625              3036.3373
 Red. masses --      9.3980                 1.0830                 1.0362
 Frc consts  --     18.6350                 5.6890                 5.6286
 IR Inten    --    283.5996                33.5231                20.4500
 RamAct Fr= 1--     10.6263               113.1875                10.2030
  Dep-P Fr= 1--      0.2237                 0.3144                 0.1546
  Dep-U Fr= 1--      0.3657                 0.4784                 0.2677
 Alpha2 Fr= 1--      0.1354                 1.1115                 0.1559
 Beta2  Fr= 1--      0.6476                 9.0243                 0.4553
 AlphaG Fr= 1--      0.0109                 0.7536                 0.0545
 Gamma2 Fr= 1--      1.0762                 4.8997                -1.0487
 Delta2 Fr= 1--     -0.2684                -1.4022                -1.0813
 Raman1 Fr= 1--      42.505                452.750                 40.812
 ROA1   Fr= 1--      94.726                425.497               -135.273
 CID1   Fr= 1--       2.229                  0.940                 -3.315
 Raman2 Fr= 1--       7.772                108.292                  5.464
 ROA2   Fr= 1--      27.976                128.810                -16.518
 CID2   Fr= 1--       3.600                  1.189                 -3.023
 Raman3 Fr= 1--      15.543                216.583                 10.927
 ROA3   Fr= 1--      94.726                425.497               -135.273
 CID3   Fr= 1--       6.094                  1.965                -12.379
 RC180  Fr= 1--      -0.269                 -0.043                 -0.465
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.00   0.00     0.00   0.01   0.00     0.00  -0.00   0.04
     2   6    -0.01   0.01   0.01    -0.04  -0.06  -0.04     0.00   0.00   0.00
     3   6    -0.01  -0.05  -0.01    -0.00  -0.00   0.00    -0.00   0.00  -0.01
     4   6    -0.04   0.70  -0.05     0.00   0.00   0.00     0.00   0.00   0.00
     5   8    -0.02  -0.06  -0.02    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.00   0.00   0.00     0.01   0.00   0.00     0.02  -0.02   0.01
     7   7     0.00  -0.01   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     8   8     0.02  -0.43   0.03    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   1     0.07   0.15   0.03    -0.01   0.02  -0.06     0.01  -0.05   0.14
    10   1     0.07  -0.01  -0.04     0.47   0.73   0.47    -0.01  -0.02  -0.01
    11   1     0.38  -0.02   0.34     0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   1     0.00  -0.01   0.03    -0.00   0.01   0.00    -0.00  -0.00   0.00
    13   1    -0.00   0.02  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    14   1    -0.00  -0.06  -0.02    -0.04  -0.00   0.02    -0.36  -0.04   0.14
    15   1     0.07  -0.02  -0.03    -0.02  -0.04  -0.02     0.12   0.21   0.12
    16   1     0.00   0.01   0.00     0.00   0.01  -0.05    -0.01   0.06  -0.37
    17   1    -0.00  -0.01  -0.01    -0.03   0.00   0.01     0.41   0.05  -0.14
    18   1    -0.03  -0.01   0.01     0.02  -0.03   0.00    -0.22   0.36  -0.07
    19   1    -0.01   0.02  -0.01    -0.03  -0.06  -0.04    -0.21  -0.36  -0.24
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3037.7537              3041.4443              3095.7370
 Red. masses --      1.0630                 1.0560                 1.1021
 Frc consts  --      5.7796                 5.7552                 6.2228
 IR Inten    --     19.0056                21.1253                23.0286
 RamAct Fr= 1--     53.0591               345.4737                56.4452
  Dep-P Fr= 1--      0.1552                 0.0209                 0.7464
  Dep-U Fr= 1--      0.2687                 0.0409                 0.8548
 Alpha2 Fr= 1--      0.8095                 7.3109                 0.0035
 Beta2  Fr= 1--      2.3761                 2.3547                 8.0413
 AlphaG Fr= 1--     -0.2353                 0.6336                -0.0212
 Gamma2 Fr= 1--      0.3453                 2.3931                 0.6301
 Delta2 Fr= 1--      2.3986                 0.5943                 3.4235
 Raman1 Fr= 1--     212.237               1381.895                225.781
 ROA1   Fr= 1--     109.906                248.751                170.043
 CID1   Fr= 1--       0.518                  0.180                  0.753
 Raman2 Fr= 1--      28.513                 28.257                 96.496
 ROA2   Fr= 1--     -10.900                 52.679                -12.265
 CID2   Fr= 1--      -0.382                  1.864                 -0.127
 Raman3 Fr= 1--      57.027                 56.514                192.992
 ROA3   Fr= 1--     109.906                248.751                170.043
 CID3   Fr= 1--       1.927                  4.402                  0.881
 RC180  Fr= 1--      -0.463                 -0.918                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.02     0.00  -0.00   0.02    -0.02  -0.00  -0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     3   6    -0.01   0.02  -0.06    -0.00   0.02  -0.05    -0.00   0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     5   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     6   6     0.01  -0.01   0.01    -0.02   0.02  -0.01     0.05   0.01  -0.07
     7   7    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     8   8    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     9   1     0.06  -0.24   0.70     0.05  -0.20   0.59     0.00  -0.01   0.04
    10   1     0.02   0.03   0.02     0.03   0.05   0.03     0.01   0.01   0.01
    11   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    12   1    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    13   1     0.01   0.00  -0.01     0.01   0.00  -0.01     0.00   0.00  -0.00
    14   1    -0.24  -0.02   0.10     0.40   0.04  -0.16    -0.64  -0.06   0.23
    15   1     0.09   0.14   0.08    -0.14  -0.23  -0.13     0.01   0.00  -0.02
    16   1    -0.01   0.05  -0.31     0.02  -0.07   0.40     0.04  -0.12   0.68
    17   1    -0.26  -0.03   0.09     0.18   0.02  -0.06     0.18   0.02  -0.06
    18   1     0.14  -0.23   0.05    -0.11   0.19  -0.04     0.03  -0.06   0.01
    19   1     0.13   0.23   0.15    -0.11  -0.20  -0.13     0.05   0.09   0.06
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3100.1793              3102.5399              3121.1505
 Red. masses --      1.1018                 1.1017                 1.1004
 Frc consts  --      6.2391                 6.2482                 6.3157
 IR Inten    --     25.0747                28.2507                13.4000
 RamAct Fr= 1--     57.7927                67.4105                35.6479
  Dep-P Fr= 1--      0.5660                 0.7458                 0.7471
  Dep-U Fr= 1--      0.7228                 0.8544                 0.8553
 Alpha2 Fr= 1--      0.2012                 0.0048                 0.0017
 Beta2  Fr= 1--      6.9624                 9.5990                 5.0814
 AlphaG Fr= 1--      0.0996                -0.0181                -0.0177
 Gamma2 Fr= 1--    -11.5382                 6.1937                 4.5022
 Delta2 Fr= 1--     -7.7448                 1.3544                 1.2662
 Raman1 Fr= 1--     231.171                269.642                142.592
 ROA1   Fr= 1--   -1355.504                637.932                472.731
 CID1   Fr= 1--      -5.864                  2.366                  3.315
 Raman2 Fr= 1--      83.549                115.188                 60.977
 ROA2   Fr= 1--    -214.959                137.813                 97.924
 CID2   Fr= 1--      -2.573                  1.196                  1.606
 Raman3 Fr= 1--     167.099                230.376                121.953
 ROA3   Fr= 1--   -1355.504                637.932                472.731
 CID3   Fr= 1--      -8.112                  2.769                  3.876
 RC180  Fr= 1--       0.446                  0.709                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.07  -0.01     0.07  -0.06  -0.01    -0.01  -0.01  -0.00
     2   6    -0.00  -0.01  -0.00     0.00  -0.00  -0.00    -0.00  -0.01  -0.00
     3   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     4   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     5   8    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     6   6    -0.00   0.00   0.02     0.01   0.00  -0.01    -0.06  -0.05  -0.05
     7   7     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     8   8     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     9   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.01
    10   1     0.04   0.06   0.04     0.01   0.02   0.01     0.04   0.06   0.04
    11   1     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    12   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    13   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    14   1     0.10   0.01  -0.03    -0.10  -0.01   0.04     0.29   0.02  -0.12
    15   1    -0.05  -0.08  -0.04     0.01   0.01   0.00     0.39   0.70   0.39
    16   1    -0.01   0.03  -0.15     0.01  -0.02   0.09     0.00  -0.06   0.28
    17   1     0.54   0.05  -0.20    -0.53  -0.08   0.19     0.05   0.01  -0.02
    18   1    -0.15   0.21  -0.05    -0.39   0.66  -0.15    -0.01   0.02  -0.00
    19   1     0.31   0.54   0.38     0.10   0.14   0.10     0.03   0.05   0.04
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3452.1046              3504.7337              3580.0060
 Red. masses --      1.0640                 1.0494                 1.0947
 Frc consts  --      7.4706                 7.5943                 8.2665
 IR Inten    --    218.2757                 1.5194                 8.5171
 RamAct Fr= 1--     59.9307               111.9350                47.7636
  Dep-P Fr= 1--      0.0764                 0.1000                 0.7448
  Dep-U Fr= 1--      0.1419                 0.1818                 0.8537
 Alpha2 Fr= 1--      1.1113                 1.9599                 0.0042
 Beta2  Fr= 1--      1.4172                 3.3914                 6.7961
 AlphaG Fr= 1--     -0.0126                -0.2839                 0.0346
 Gamma2 Fr= 1--     -1.3778                 3.0148                -6.3675
 Delta2 Fr= 1--     -1.3597                 3.2892                -0.8727
 Raman1 Fr= 1--     239.723                447.740                191.055
 ROA1   Fr= 1--    -175.775                394.678               -639.204
 CID1   Fr= 1--      -0.733                  0.881                 -3.346
 Raman2 Fr= 1--      17.006                 40.697                 81.553
 ROA2   Fr= 1--     -22.189                 46.042               -145.837
 CID2   Fr= 1--      -1.305                  1.131                 -1.788
 Raman3 Fr= 1--      34.012                 81.394                163.106
 ROA3   Fr= 1--    -175.775                394.678               -639.204
 CID3   Fr= 1--      -5.168                  4.849                 -3.919
 RC180  Fr= 1--      -0.716                 -0.636                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     4   6     0.00  -0.01   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   8    -0.01  -0.06  -0.01     0.00   0.01   0.00    -0.00  -0.00  -0.00
     6   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     7   7    -0.00  -0.01  -0.00     0.00  -0.04  -0.04     0.07   0.03  -0.04
     8   8    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     9   1     0.00  -0.01   0.00    -0.00   0.00   0.01     0.00  -0.00   0.01
    10   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    11   1     0.06   0.98   0.07    -0.01  -0.13  -0.01     0.00   0.02   0.00
    12   1     0.08   0.08   0.00     0.48   0.49  -0.02    -0.49  -0.52  -0.01
    13   1    -0.05   0.01   0.06    -0.47   0.09   0.53    -0.43   0.10   0.53
    14   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    15   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    16   1     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    17   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    18   1     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    19   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  7 and mass  14.00307
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   117.07898 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   730.288281009.065421258.98002
           X            0.99614  -0.08532  -0.02041
           Y            0.08517   0.99633  -0.00820
           Z            0.02103   0.00643   0.99976
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.11860     0.08584     0.06880
 Rotational constants (GHZ):           2.47127     1.78853     1.43349
 Zero-point vibrational energy     432973.5 (Joules/Mol)
                                  103.48316 (Kcal/Mol)
 Warning -- explicit consideration of  12 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     93.75   144.41   267.13   330.50   364.23
          (Kelvin)            374.53   406.68   486.60   507.85   621.37
                              674.28   781.20   946.39  1067.82  1157.20
                             1214.51  1248.26  1324.26  1352.60  1369.38
                             1405.45  1552.69  1574.87  1621.80  1713.31
                             1741.80  1798.97  1876.32  1933.73  1975.37
                             1987.34  2031.20  2033.94  2063.91  2144.92
                             2150.84  2169.12  2178.30  2382.79  2639.46
                             4295.99  4368.61  4370.65  4375.96  4454.08
                             4460.47  4463.86  4490.64  4966.81  5042.53
                             5150.83
 
 Zero-point correction=                           0.164911 (Hartree/Particle)
 Thermal correction to Energy=                    0.174047
 Thermal correction to Enthalpy=                  0.174992
 Thermal correction to Gibbs Free Energy=         0.131312
 Sum of electronic and zero-point Energies=           -402.406573
 Sum of electronic and thermal Energies=              -402.397437
 Sum of electronic and thermal Enthalpies=            -402.396493
 Sum of electronic and thermal Free Energies=         -402.440172
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  109.216             33.566             91.932
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.188
 Rotational               0.889              2.981             28.319
 Vibrational            107.439             27.604             23.425
 Vibration     1          0.597              1.971              4.295
 Vibration     2          0.604              1.949              3.447
 Vibration     3          0.632              1.859              2.271
 Vibration     4          0.652              1.796              1.881
 Vibration     5          0.664              1.757              1.709
 Vibration     6          0.668              1.745              1.660
 Vibration     7          0.682              1.706              1.518
 Vibration     8          0.719              1.599              1.221
 Vibration     9          0.729              1.569              1.153
 Vibration    10          0.793              1.401              0.853
 Vibration    11          0.826              1.320              0.741
 Vibration    12          0.898              1.155              0.559
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.398859D-60        -60.399180       -139.074252
 Total V=0       0.284778D+16         15.454506         35.585316
 Vib (Bot)       0.232319D-73        -73.633914       -169.548354
 Vib (Bot)    1  0.316736D+01          0.500697          1.152898
 Vib (Bot)    2  0.204462D+01          0.310613          0.715213
 Vib (Bot)    3  0.107964D+01          0.033280          0.076629
 Vib (Bot)    4  0.857535D+00         -0.066748         -0.153694
 Vib (Bot)    5  0.769812D+00         -0.113615         -0.261609
 Vib (Bot)    6  0.746030D+00         -0.127244         -0.292989
 Vib (Bot)    7  0.679230D+00         -0.167983         -0.386796
 Vib (Bot)    8  0.549654D+00         -0.259911         -0.598466
 Vib (Bot)    9  0.521690D+00         -0.282588         -0.650682
 Vib (Bot)   10  0.402853D+00         -0.394853         -0.909183
 Vib (Bot)   11  0.360329D+00         -0.443301         -1.020739
 Vib (Bot)   12  0.290981D+00         -0.536136         -1.234499
 Vib (V=0)       0.165872D+03          2.219772          5.111215
 Vib (V=0)    1  0.370658D+01          0.568973          1.310110
 Vib (V=0)    2  0.260487D+01          0.415786          0.957383
 Vib (V=0)    3  0.168980D+01          0.227835          0.524611
 Vib (V=0)    4  0.149266D+01          0.173960          0.400557
 Vib (V=0)    5  0.141794D+01          0.151657          0.349204
 Vib (V=0)    6  0.139809D+01          0.145534          0.335105
 Vib (V=0)    7  0.134342D+01          0.128211          0.295217
 Vib (V=0)    8  0.124305D+01          0.094488          0.217566
 Vib (V=0)    9  0.122261D+01          0.087287          0.200985
 Vib (V=0)   10  0.114210D+01          0.057704          0.132867
 Vib (V=0)   11  0.111631D+01          0.047784          0.110028
 Vib (V=0)   12  0.107851D+01          0.032823          0.075577
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.497935D+08          7.697172         17.723394
 Rotational      0.344796D+06          5.537562         12.750707
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3  3 3        3333333 2                                       1      1 11111111111 111 111                                      
     5  5 4        1110000 9                                       8      6 55444443333 221 100  9999 888 7  6   5  44 332222 1  1   
     8  0 5        2009433 8                                       3      5 10993118740 519 297  7542 640 4  5   4  63 538653 8  06  
     0  5 2        1306186 6                                       5      6 48514421344 011 759  7200 844 2  8   3  92 383030 6  05  
 
     X  X X        XXXXXXX X                                       X      X XXXXXXXXXXX XXX XXX  XXXX XXX X  X   X  XX XXXXXX X  XX  
          X         XXX    X                                       X      X      XXX      X        XX X X                            
          X                                                        X      X      XXX                X X                              
          X                                                        X             XXX                X X                              
          X                                                        X             XX                 X X                              
          X                                                        X             XX                                                  
          X                                                        X             XX                                                  
          X                                                        X             XX                                                  
          X                                                        X             XX                                                  
          X                                                        X              X                                                  
          X                                                        X              X                                                  
          X                                                        X              X                                                  
          X                                                        X              X                                                  
          X                                                        X                                                                 
          X                                                        X                                                                 
                                                                   X                                                                 
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                                                                   X                                                                 
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000001652   -0.000000477   -0.000001729
      2        6           0.000003500    0.000002749    0.000003534
      3        6          -0.000007881    0.000011348    0.000002724
      4        6           0.000001928   -0.000003206    0.000000115
      5        8           0.000001125    0.000002898    0.000001454
      6        6           0.000000644   -0.000001155    0.000002439
      7        7           0.000004675   -0.000012241    0.000000111
      8        8          -0.000000846    0.000001242   -0.000002553
      9        1           0.000000887   -0.000001392    0.000000008
     10        1          -0.000002425    0.000000412   -0.000000514
     11        1          -0.000003324   -0.000003229   -0.000003216
     12        1          -0.000000842   -0.000000148   -0.000000524
     13        1           0.000001607   -0.000000222   -0.000000451
     14        1           0.000000510    0.000001430    0.000000271
     15        1           0.000000581   -0.000000337   -0.000000527
     16        1           0.000000614   -0.000000673    0.000000067
     17        1          -0.000000132    0.000001585    0.000000049
     18        1           0.000000382    0.000001853   -0.000000722
     19        1           0.000000649   -0.000000438   -0.000000534
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000012241 RMS     0.000002981
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.799369D+02 -0.264657D+01  0.165516D+01
      2  -0.264657D+01  0.815930D+02 -0.154807D+01
      3   0.165516D+01 -0.154807D+01  0.720449D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.182826D+01  0.172480D+01  0.748240D+01
      2   0.103598D+02  0.192478D+01 -0.274416D+02
      3  -0.994397D+01  0.138512D+02  0.198806D+00
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.769307D+02  0.993509D+01  0.207440D+02
      2   0.432184D+02 -0.710609D+01 -0.146194D+02
      3   0.337123D+02 -0.282900D+01 -0.612464D+01
      4  -0.115552D+02 -0.252272D+02  0.119627D+02
      5   0.156140D+02  0.902854D+01 -0.519211D+02
      6   0.117652D+02 -0.110054D+02 -0.194577D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.517894D+01  0.153701D+01 -0.406865D+01  0.113333D+01 -0.353042D+01
      2   0.153701D+01 -0.357167D+01 -0.745309D+00 -0.353042D+01  0.164242D+01
      3  -0.406865D+01 -0.745309D+00  0.276834D+00 -0.478002D+00 -0.288602D+01
                 6             7             8             9            10 
      1  -0.478002D+00 -0.322627D+01 -0.561551D+00 -0.143599D+00 -0.477980D+01
      2  -0.288602D+01 -0.561551D+00 -0.220897D+01 -0.228349D+01 -0.203570D+00
      3  -0.185964D+01 -0.143599D+00 -0.228349D+01  0.262125D+01  0.336420D+01
                11            12            13            14            15 
      1  -0.203570D+00  0.336420D+01  0.839235D+00  0.449254D+01  0.802840D+00
      2   0.373278D+01  0.811871D+00  0.449254D+01  0.129796D+01  0.306028D+01
      3   0.811871D+00  0.275615D+00  0.802840D+00  0.306028D+01  0.284375D+01
                16            17            18            19            20 
      1   0.458950D+01  0.100973D+01  0.269563D+00  0.472437D+01 -0.365508D-01
      2   0.100973D+01  0.287498D+01  0.346597D+01 -0.365508D-01 -0.190133D+01
      3   0.269563D+00  0.346597D+01 -0.362044D+01 -0.213338D+01 -0.119912D+01
                21            22            23            24            25 
      1  -0.213338D+01  0.527738D-01 -0.267100D+01 -0.111710D+01 -0.255956D+01
      2  -0.119912D+01 -0.267100D+01  0.181430D+00  0.176309D-01 -0.139569D+01
      3   0.584051D+00 -0.111710D+01  0.176309D-01 -0.263581D+01  0.107045D+01
                26            27            28            29            30 
      1  -0.139569D+01  0.107045D+01  0.397423D+00  0.605125D+00  0.314348D+00
      2  -0.532428D+00 -0.298188D+01  0.605125D+00  0.202615D+01  0.102229D+01
      3  -0.298188D+01  0.441456D+01  0.314348D+00  0.102229D+01  0.481209D+00
                31            32            33            34            35 
      1  -0.108737D+01  0.421344D+00  0.850104D+00 -0.541086D+00  0.113808D+01
      2   0.421344D+00 -0.529721D+01  0.141453D+01  0.113808D+01  0.188900D+01
      3   0.850104D+00  0.141453D+01  0.633924D+00 -0.951870D-01  0.122194D+01
                36            37            38            39            40 
      1  -0.951870D-01  0.521239D+01 -0.784499D+00  0.195816D+01  0.704874D+00
      2   0.122194D+01 -0.784499D+00  0.523894D+00  0.971243D-01  0.183614D+01
      3  -0.893932D-01  0.195816D+01  0.971243D-01  0.124023D+01  0.123543D+01
                41            42            43            44            45 
      1   0.183614D+01  0.123543D+01  0.248586D+01  0.120778D+00  0.218221D+01
      2   0.342839D+01  0.186578D+01  0.120778D+00  0.658785D+00 -0.564627D+00
      3   0.186578D+01  0.111777D+01  0.218221D+01 -0.564627D+00  0.328464D+01
                46            47            48            49            50 
      1   0.584419D+01  0.297176D+00 -0.288125D+01  0.101697D+01 -0.336090D+01
      2   0.297176D+00 -0.326517D+01 -0.361105D+00 -0.336090D+01 -0.538814D+00
      3  -0.288125D+01 -0.361105D+00  0.366625D+00 -0.586046D+00 -0.201421D+01
                51            52            53            54            55 
      1  -0.586046D+00 -0.343281D+01 -0.445986D+00  0.109501D+01  0.959651D+00
      2  -0.201421D+01 -0.445986D+00 -0.164774D+01 -0.273293D+01  0.559179D+00
      3  -0.206143D+01  0.109501D+01 -0.273293D+01  0.613146D+01  0.198166D+01
                56            57            58            59            60 
      1   0.559179D+00  0.198166D+01  0.290566D+00  0.339280D+01 -0.275384D-01
      2   0.341727D+01  0.152629D+00  0.339280D+01 -0.676680D+00  0.878292D+00
      3   0.152629D+00 -0.197714D+01 -0.275384D-01  0.878292D+00  0.689761D+00
                61            62            63            64            65 
      1   0.290214D+01 -0.100843D+01 -0.237991D+01 -0.981814D+00  0.288202D+01
      2  -0.100843D+01  0.196430D+01  0.913063D+00  0.288202D+01  0.311143D+00
      3  -0.237991D+01  0.913063D+00  0.180885D+01 -0.499892D+00 -0.344190D+00
                66            67            68            69            70 
      1  -0.499892D+00  0.395225D+01  0.951351D+00 -0.477624D-01 -0.357436D+00
      2  -0.344190D+00  0.951351D+00  0.132126D+02 -0.138174D+01 -0.414720D+00
      3  -0.260680D+00 -0.477624D-01 -0.138174D+01  0.209761D+01  0.228784D+00
                71            72            73            74            75 
      1  -0.414720D+00  0.228784D+00 -0.120221D+01  0.544025D+00 -0.955895D+00
      2  -0.775292D+00  0.262276D+01  0.544025D+00  0.689017D-02  0.150467D+00
      3   0.262276D+01 -0.863147D+00 -0.955895D+00  0.150467D+00 -0.297054D+00
                76            77            78            79            80 
      1   0.708457D+00  0.120115D+00  0.156775D+00 -0.121733D+01  0.469639D+00
      2   0.120115D+00  0.127714D+01 -0.164719D+01  0.469639D+00 -0.183658D+01
      3   0.156775D+00 -0.164719D+01  0.192418D+01 -0.104910D+00  0.170585D+01
                81            82            83            84            85 
      1  -0.104910D+00 -0.234198D+01 -0.175192D+01 -0.175066D+01 -0.230878D+01
      2   0.170585D+01 -0.175192D+01 -0.236918D+01 -0.792250D+00 -0.256634D+01
      3  -0.779653D+01 -0.175066D+01 -0.792250D+00 -0.127213D+01 -0.822717D+00
                86            87            88            89            90 
      1  -0.256634D+01 -0.822717D+00 -0.220205D+01 -0.795480D+00 -0.127368D+01
      2  -0.512994D+01 -0.221719D+01 -0.795480D+00 -0.226111D+01 -0.219688D+01
      3  -0.221719D+01 -0.216940D+01 -0.127368D+01 -0.219688D+01 -0.202580D+01
                91            92            93            94            95 
      1   0.985823D+00 -0.705710D+00 -0.514488D-01 -0.228486D+01 -0.126404D+00
      2  -0.705710D+00 -0.924450D-01 -0.607570D+00 -0.126404D+00 -0.481474D+01
      3  -0.514488D-01 -0.607570D+00  0.208506D-01 -0.165313D+01 -0.583201D+00
                96            97            98            99           100 
      1  -0.165313D+01 -0.161885D-01 -0.691601D+00 -0.791728D-01 -0.214093D+01
      2  -0.583201D+00 -0.691601D+00 -0.314812D+00 -0.888728D+00 -0.172880D+01
      3  -0.220454D+01 -0.791728D-01 -0.888728D+00  0.634936D+00 -0.149413D-01
               101           102           103           104           105 
      1  -0.172880D+01 -0.149413D-01 -0.205029D+01 -0.191535D+01 -0.224158D+00
      2  -0.375048D+01 -0.588815D+00 -0.191535D+01 -0.609680D+01 -0.107041D+01
      3  -0.588815D+00 -0.589582D+00 -0.224158D+00 -0.107041D+01 -0.119084D+01
               106           107           108           109           110 
      1   0.169876D+00  0.513260D-02  0.124751D+00  0.351059D+01 -0.159118D+01
      2   0.513260D-02 -0.566130D+00 -0.733977D+00 -0.159118D+01  0.155746D+01
      3   0.124751D+00 -0.733977D+00 -0.243503D+00 -0.229828D+01  0.118780D+01
               111           112           113           114           115 
      1  -0.229828D+01 -0.710888D+00  0.969620D+00  0.602308D+00 -0.296639D+01
      2   0.118780D+01  0.969620D+00 -0.140648D+01 -0.115886D+01  0.153068D+01
      3   0.294022D+01  0.602308D+00 -0.115886D+01 -0.976315D+00  0.293001D+01
               116           117           118           119           120 
      1   0.153068D+01  0.293001D+01 -0.100962D+02  0.133717D+01  0.163135D+01
      2  -0.196198D+01 -0.199391D+01  0.133717D+01 -0.114470D+01 -0.116963D-01
      3  -0.199391D+01 -0.367152D+01  0.163135D+01 -0.116963D-01 -0.150145D+01
               121           122           123           124           125 
      1  -0.454798D+00 -0.889250D+00  0.469775D-01  0.273074D+01 -0.415704D+00
      2  -0.889250D+00  0.170291D+00  0.540873D+00 -0.415704D+00  0.760972D+00
      3   0.469775D-01  0.540873D+00 -0.538475D-01 -0.171848D+01  0.402891D+00
               126           127           128           129           130 
      1  -0.171848D+01  0.122850D+01  0.744844D+00  0.813049D+00  0.144489D+01
      2   0.402891D+00  0.744844D+00  0.178529D+01  0.343806D+00  0.691640D+00
      3   0.524133D+00  0.813049D+00  0.343806D+00  0.702959D+00  0.340764D+00
               131           132           133           134           135 
      1   0.691640D+00  0.340764D+00  0.127057D+01  0.909158D-01  0.197788D+00
      2   0.530582D+01  0.131775D+01  0.909158D-01  0.216749D+01  0.155067D+01
      3   0.131775D+01  0.158975D+01  0.197788D+00  0.155067D+01  0.741495D+00
               136           137           138           139           140 
      1  -0.109589D+01  0.420936D+00 -0.103599D+01  0.155371D+00 -0.866045D-01
      2   0.420936D+00  0.170633D+00  0.248505D+00 -0.866045D-01  0.123843D+01
      3  -0.103599D+01  0.248505D+00 -0.653810D+00  0.396033D+00 -0.133779D+01
               141           142           143           144           145 
      1   0.396033D+00 -0.170711D+01  0.860816D+00 -0.165059D+01 -0.777011D+01
      2  -0.133779D+01  0.860816D+00 -0.195443D+01  0.246118D+01 -0.119692D+01
      3   0.143234D+01 -0.165059D+01  0.246118D+01 -0.834137D+01  0.359111D+01
               146           147           148           149           150 
      1  -0.119692D+01  0.359111D+01 -0.889242D+00 -0.899753D+00  0.430796D+00
      2  -0.104440D+01  0.771446D+00 -0.899753D+00 -0.844950D+00  0.100467D+01
      3   0.771446D+00 -0.311789D+01  0.430796D+00  0.100467D+01 -0.168538D+00
               151           152           153           154           155 
      1   0.235082D+01  0.449887D+00 -0.224251D+01  0.154375D+01 -0.168839D+01
      2   0.449887D+00  0.648594D+00 -0.294478D+00 -0.168839D+01  0.225944D+01
      3  -0.224251D+01 -0.294478D+00  0.213159D+01  0.802359D+00 -0.673078D+00
               156           157           158           159           160 
      1   0.802359D+00 -0.184982D+01  0.194874D+01 -0.326280D+00  0.565264D+00
      2  -0.673078D+00  0.194874D+01 -0.572827D+01  0.227909D+01 -0.361378D+00
      3   0.135759D+01 -0.326280D+00  0.227909D+01 -0.208948D+01  0.838705D+00
               161           162           163           164           165 
      1  -0.361378D+00  0.838705D+00  0.823309D+00  0.760075D+00  0.123415D+01
      2   0.148610D+01 -0.129306D+01  0.760075D+00  0.134842D+01  0.537200D+00
      3  -0.129306D+01  0.997373D+00  0.123415D+01  0.537200D+00  0.142355D+01
               166           167           168           169           170 
      1   0.133735D+01  0.122173D+01  0.420718D+00  0.116147D+01  0.414884D+00
      2   0.122173D+01  0.277940D+01  0.191774D+01  0.414884D+00  0.160925D+01
      3   0.420718D+00  0.191774D+01  0.308078D+01  0.750773D+00  0.161962D+01
               171 
      1   0.750773D+00
      2   0.161962D+01
      3   0.336141D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.495826D+00 -0.742962D+01 -0.910297D+00 -0.638807D+01  0.198294D+01
      2  -0.257621D+01 -0.273346D+01  0.109353D+02 -0.186555D+01  0.106667D+02
      3  -0.202590D+01 -0.863890D+01  0.246994D+01 -0.415826D+01  0.489691D+01
                 6             7             8             9            10 
      1  -0.108051D+02 -0.106381D+01 -0.414734D+01 -0.304806D+00  0.150644D+01
      2   0.361160D+01  0.410575D+01  0.420950D+01 -0.399726D+01 -0.821166D+01
      3  -0.398158D+01  0.156623D+01 -0.264287D+01 -0.319139D+01  0.242793D+01
                11            12            13            14            15 
      1   0.637451D-01  0.117697D+00  0.112522D-01  0.592799D+00 -0.358280D+01
      2  -0.202530D+01  0.440090D+01  0.142413D+01 -0.244791D+01 -0.329833D+01
      3   0.318577D+01  0.161216D+01  0.984476D+01 -0.101584D+01  0.376498D+01
                16            17            18            19            20 
      1  -0.140312D+01  0.276960D+01 -0.200863D+01 -0.151763D+01  0.192888D+01
      2  -0.172917D+01 -0.235041D+01  0.502137D+01  0.145872D+01  0.285962D+00
      3  -0.117148D+01  0.294255D+01  0.404283D+01 -0.765127D+00 -0.376259D+01
                21            22            23            24            25 
      1  -0.596328D+00  0.418681D+01  0.229585D+00 -0.362173D+00  0.268046D+01
      2  -0.739115D+00 -0.108224D+01 -0.234767D+01  0.196328D+01 -0.785628D+01
      3   0.189697D-01  0.379618D+01 -0.584810D+00 -0.250057D+01  0.117808D+01
                26            27            28            29            30 
      1   0.391086D+01  0.309376D+01 -0.144399D+01 -0.412202D+01  0.453821D+00
      2  -0.139159D+01  0.356483D+01  0.119159D+02  0.438905D+01  0.271728D+01
      3  -0.806409D+00 -0.260502D+00 -0.272839D+01 -0.747142D+01 -0.228653D+01
                31            32            33            34            35 
      1  -0.392420D+01 -0.328815D-01  0.655607D+01  0.244782D+01  0.715053D+01
      2  -0.726095D+00  0.152807D+01 -0.993695D+00 -0.866690D+01 -0.296557D+01
      3  -0.567923D+01  0.819938D+01  0.223039D+01 -0.264664D+00  0.345637D+01
                36            37            38            39            40 
      1  -0.126714D+01 -0.819855D+00  0.378011D+01  0.645778D+00  0.318559D+01
      2  -0.860861D+01 -0.198204D+01 -0.117937D+01  0.482936D+01  0.321318D+00
      3   0.151099D+00  0.219474D+01 -0.696287D+01  0.724889D+00 -0.187224D+01
                41            42            43            44            45 
      1   0.788062D+01  0.380839D+00 -0.990695D+00  0.488055D+01 -0.500993D+00
      2   0.328986D+01  0.339195D+01  0.254818D+01  0.113261D+01  0.868904D+01
      3  -0.119651D+02 -0.628146D+01 -0.196501D+01 -0.574790D+01  0.811117D+00
                46            47            48            49            50 
      1   0.314245D+01  0.248874D+01 -0.477973D+00  0.244406D+01  0.232258D+01
      2   0.102418D+02  0.935176D+00 -0.556967D+00  0.147339D+01  0.280359D+01
      3   0.827126D+01 -0.119799D+02 -0.426170D+01 -0.488340D+01 -0.627104D+01
                51            52            53            54            55 
      1   0.174554D+01 -0.265055D+01  0.727302D+01 -0.724948D+01  0.424346D+01
      2   0.472550D+01 -0.739844D+01  0.676767D+01 -0.134325D+02  0.327464D+01
      3  -0.562936D+01 -0.489822D+01 -0.499686D+01 -0.512091D+01 -0.359835D+01
                56            57            58            59            60 
      1  -0.341114D+01 -0.353257D+01 -0.369123D+01  0.394613D+01 -0.372295D+01
      2  -0.717864D+00  0.236118D+01 -0.893122D+00  0.446280D+01 -0.107388D+01
      3  -0.120013D+02 -0.446341D+01 -0.145397D+01 -0.674481D+01 -0.116426D+01
                61            62            63            64            65 
      1  -0.574764D+01  0.572366D+01  0.368839D+01  0.139062D+01  0.182533D+00
      2  -0.522907D+01  0.121996D+01  0.157538D+01 -0.352888D+01 -0.181088D+01
      3  -0.329787D+01 -0.846875D+00  0.438847D+01 -0.459292D+01  0.408786D+00
                66            67            68            69            70 
      1  -0.731245D+00 -0.842154D+00 -0.747738D+00 -0.122631D+02 -0.703023D+00
      2   0.158471D+01  0.335624D+01 -0.245431D+00  0.251564D+01 -0.162799D+01
      3   0.741427D+00  0.133226D+02 -0.157883D+02  0.136008D+01  0.643960D+00
                71            72            73            74            75 
      1  -0.330045D+00  0.459977D+00 -0.981733D+00  0.359702D+00 -0.229949D+00
      2   0.495597D+01  0.112365D+01 -0.142780D+01  0.789083D+00 -0.222913D+00
      3  -0.294554D-01 -0.446778D+01  0.388848D+00 -0.457693D+00  0.488927D+00
                76            77            78            79            80 
      1  -0.753895D-01 -0.251242D+01  0.798076D+00 -0.974484D+00  0.460151D+01
      2   0.155195D+01 -0.654063D+00 -0.279847D-01 -0.347483D+01  0.773459D+00
      3   0.165501D+01 -0.405891D-01  0.791602D+00 -0.244812D+00  0.124012D+00
                81            82            83            84            85 
      1  -0.200942D+01 -0.465936D+00  0.632334D+00 -0.122859D+01  0.498375D+00
      2  -0.199667D+00  0.955595D+00  0.435700D+00  0.229300D+01 -0.134714D+01
      3  -0.261398D+00 -0.488904D+00 -0.401727D+01 -0.160881D+00  0.614834D+00
                86            87            88            89            90 
      1   0.102286D+01 -0.236089D+01 -0.328825D+00  0.130453D+01 -0.732844D+00
      2   0.146305D+01  0.340024D+01 -0.138668D+01  0.241724D+01  0.233774D+01
      3  -0.660351D+01 -0.303872D+01  0.146176D+01 -0.320146D+01 -0.252593D+01
                91            92            93            94            95 
      1  -0.123092D+00 -0.250824D+01 -0.501869D-01 -0.251683D+01 -0.100714D+02
      2   0.176500D+01 -0.254019D+00 -0.140760D+00 -0.845880D+00 -0.180708D+01
      3   0.296353D+00  0.120227D+01  0.110772D+01  0.284594D+01  0.161503D+02
                96            97            98            99           100 
      1  -0.342391D+01 -0.893200D+00 -0.116009D+01  0.920457D+00  0.107745D+01
      2  -0.494360D+01 -0.119677D+01 -0.234730D+01 -0.370112D+00 -0.176157D+01
      3   0.429618D+01  0.799883D+00  0.352871D+01  0.251750D+01  0.831656D+01
               101           102           103           104           105 
      1   0.202718D+01 -0.179881D+01  0.539702D+00  0.249476D+01 -0.282855D+01
      2  -0.840413D+00  0.665305D+00 -0.150678D+01 -0.175426D+01 -0.306284D+00
      3   0.600236D+01  0.228296D+00  0.756347D+01  0.932843D+01  0.192871D+01
               106           107           108           109           110 
      1   0.377672D+00  0.316737D-01  0.600635D+00 -0.339136D+01  0.106198D+01
      2   0.167048D+00 -0.168782D+00  0.392625D+00  0.480784D+00  0.398182D+00
      3  -0.694905D+00  0.458747D+00  0.761205D-01 -0.516265D+01  0.756987D+00
               111           112           113           114           115 
      1   0.605691D+01  0.536742D+00 -0.109360D+01 -0.181998D+01  0.474249D+01
      2   0.280795D+01 -0.319043D-01 -0.276439D+00 -0.845903D+00 -0.380072D+00
      3   0.317202D+01  0.147791D+01  0.147627D+00 -0.202224D+00  0.453102D+01
               116           117           118           119           120 
      1  -0.121247D+01 -0.577275D+01 -0.264486D+01  0.374251D-01  0.196039D+01
      2  -0.108539D+01 -0.256623D+01 -0.835273D+01  0.407276D+00  0.714917D+01
      3  -0.297773D+00 -0.397931D+01 -0.831574D+01 -0.410246D+01  0.219403D+01
               121           122           123           124           125 
      1   0.449912D+00 -0.622692D+00 -0.956001D+00  0.169014D+01  0.254875D+00
      2  -0.154410D+00 -0.185317D+01  0.205677D+00  0.430883D+01 -0.889915D+00
      3  -0.141242D+01 -0.621984D+00  0.150653D+01  0.223152D+01  0.234722D+01
               126           127           128           129           130 
      1  -0.878955D+00 -0.141579D+01 -0.999147D+00 -0.153785D+01 -0.117221D+01
      2  -0.270768D+01 -0.162565D+01 -0.431479D+00 -0.679819D+00 -0.661491D+00
      3  -0.671153D+00  0.592359D+01  0.531138D+01  0.223985D+01  0.698638D+01
               131           132           133           134           135 
      1  -0.376106D+01 -0.462065D+01 -0.390494D+00 -0.162560D+01 -0.209446D+01
      2  -0.269925D+01 -0.305297D+01 -0.140646D+01 -0.308826D+01 -0.141781D+01
      3   0.135082D+02  0.427449D+01  0.276061D+01  0.528918D+01  0.388329D+01
               136           137           138           139           140 
      1   0.683682D+00 -0.445772D+00  0.564066D+00 -0.540971D+00  0.253832D+00
      2   0.159938D+01 -0.559553D+00  0.167847D+01 -0.381740D+00  0.271085D+01
      3   0.147468D+00  0.242900D+00 -0.197328D+00  0.145484D+01  0.279732D+01
               141           142           143           144           145 
      1  -0.199017D+01  0.773292D+00  0.124955D+01  0.860890D+01  0.111570D+01
      2  -0.308528D+01 -0.632886D+00 -0.435309D+01  0.176669D+02  0.834077D+01
      3  -0.245684D+01 -0.457547D+00 -0.391176D+01  0.427679D+01  0.509743D+01
               146           147           148           149           150 
      1  -0.195135D+01 -0.160061D+01 -0.667411D+00 -0.281919D+00  0.455431D+00
      2   0.476278D+00  0.156707D+01  0.867109D+00 -0.560009D+00 -0.264651D+00
      3  -0.289145D+01 -0.148402D+01  0.335216D+00 -0.680441D+00  0.113448D+01
               151           152           153           154           155 
      1  -0.105825D+01  0.198261D+01  0.116925D+01 -0.256113D+01  0.441590D+01
      2  -0.234041D+01 -0.528048D+00 -0.176831D+00 -0.545796D+01  0.411208D+01
      3  -0.133463D+01  0.128609D+01  0.146525D+01 -0.515303D+01  0.377492D+01
               156           157           158           159           160 
      1   0.135829D+01  0.397098D+01 -0.823718D+01 -0.778077D+00  0.490571D+00
      2  -0.157372D+01  0.475564D+01 -0.698440D+01  0.262611D+01 -0.294183D+01
      3  -0.112798D+01  0.675106D+01 -0.879301D+01  0.273776D+01 -0.102212D+01
               161           162           163           164           165 
      1   0.230945D+01 -0.110817D+01  0.270140D+01  0.388876D+01  0.153746D+01
      2   0.237386D+01 -0.233734D+01 -0.428266D+01 -0.245272D+01 -0.305233D+01
      3   0.181102D+01 -0.276284D+01  0.109075D+01  0.602620D+00 -0.239447D+00
               166           167           168           169           170 
      1   0.316960D+01  0.741109D+01  0.355433D+01  0.167772D+01  0.583104D+01
      2  -0.425343D+01 -0.529526D+01 -0.454743D+01 -0.483225D+01 -0.335725D+01
      3   0.278158D+01  0.275660D+01  0.205634D+01  0.178207D+00  0.123747D+01
               171 
      1   0.460933D+01
      2  -0.538401D+01
      3   0.162874D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.137444D+02 -0.817970D+01  0.168670D+02 -0.711163D+01  0.187216D+02
      2   0.131108D+02  0.124266D+02 -0.869034D+01  0.108787D+02 -0.893917D+01
      3   0.633593D+00 -0.424689D+01 -0.817667D+01 -0.376706D+01 -0.978242D+01
      4  -0.108170D+02  0.475847D+01  0.732300D+01  0.582311D+01  0.167684D+01
      5   0.246994D+02  0.533510D+01 -0.120778D+02  0.346021D+01 -0.180367D+01
      6   0.858841D+01 -0.944335D+01 -0.340828D+01 -0.884074D+01  0.622669D+01
                 6             7             8             9            10 
      1   0.396214D+01  0.129331D+02  0.385433D+01 -0.709837D+01  0.100385D+02
      2   0.832623D+01 -0.640312D+01  0.684771D+01 -0.948675D+00 -0.114351D+02
      3  -0.122884D+02 -0.653002D+01 -0.107020D+02  0.804705D+01  0.139664D+01
      4   0.518663D+01  0.620405D+01  0.429348D+01  0.541366D+01 -0.362516D+01
      5   0.153373D+01 -0.936224D+01  0.336689D+01 -0.543446D+01 -0.106430D+02
      6  -0.754536D+01 -0.217466D+01 -0.552559D+01 -0.799523D+01 -0.577578D+01
                11            12            13            14            15 
      1   0.737659D+00 -0.917476D+01  0.323415D+01 -0.111912D+02 -0.162253D+01
      2  -0.118392D+01  0.382663D+01 -0.239639D+01  0.353967D+00 -0.317350D+01
      3   0.446263D+00  0.534812D+01 -0.837766D+00  0.108373D+02  0.479603D+01
      4  -0.149548D+02 -0.489526D+01 -0.153451D+02 -0.839389D+01 -0.112634D+02
      5  -0.283895D+01 -0.178051D+01 -0.152206D+01 -0.125883D+02 -0.775370D+01
      6  -0.469464D+01 -0.858681D+00 -0.503216D+01 -0.528906D+01 -0.349965D+01
                16            17            18            19            20 
      1  -0.106009D+02 -0.139284D+01  0.265854D+01 -0.816072D+01 -0.627450D+01
      2   0.410516D+01 -0.189986D+01 -0.209828D+01  0.763249D+01  0.729005D+01
      3   0.649569D+01  0.329271D+01 -0.560266D+00  0.528237D+00 -0.101555D+01
      4  -0.292819D+01 -0.913510D+01 -0.105056D+02  0.484971D+01  0.141325D+00
      5  -0.282686D+01 -0.959799D+01  0.811542D+01  0.929093D-01 -0.114716D+01
      6  -0.170798D+01 -0.516465D+01 -0.337878D+00  0.453786D+01  0.435466D+01
                21            22            23            24            25 
      1   0.541573D+00 -0.356731D+01  0.307730D+01 -0.429723D+01  0.414644D+01
      2   0.967017D-01  0.353805D+01 -0.938199D+00 -0.498157D+01 -0.192103D+00
      3  -0.638275D+00  0.292542D-01 -0.213910D+01  0.927880D+01 -0.395434D+01
      4   0.651711D+00 -0.470129D+01  0.807296D+01  0.117262D+01 -0.118467D+01
      5  -0.693178D+00 -0.164995D+01  0.245737D+01  0.400073D+01  0.167795D+01
      6   0.299394D+01  0.157147D+01  0.187733D+00 -0.576672D+01 -0.923256D+00
                26            27            28            29            30 
      1  -0.591602D+01  0.769993D+01 -0.393656D+01  0.120653D+01  0.132995D-01
      2  -0.159502D+01  0.130523D+02  0.603940D+00 -0.116051D+01  0.662386D+01
      3   0.751103D+01 -0.207522D+02  0.333262D+01 -0.460245D-01 -0.663716D+01
      4   0.313966D+01 -0.276479D+01  0.272188D+01  0.230916D+01  0.987828D+00
      5  -0.752683D+00 -0.752658D+00 -0.620081D+01  0.303708D+01 -0.146486D+01
      6   0.230940D+01  0.535384D+01 -0.193918D+01 -0.210472D+01  0.152829D+01
                31            32            33            34            35 
      1   0.507634D+01  0.184882D+02  0.351643D+00 -0.100680D+02  0.496571D+01
      2  -0.532959D+01 -0.340000D+02 -0.390915D-01  0.847469D+01 -0.642198D+00
      3   0.253249D+00  0.155118D+02 -0.312551D+00  0.159328D+01 -0.432351D+01
      4  -0.137043D+02 -0.158647D+02  0.372652D+01  0.351895D+01 -0.275165D+00
      5   0.554000D+01  0.623590D+01 -0.101010D+01  0.704777D+00  0.142718D+01
      6   0.467512D+00  0.244997D+01 -0.109693D+02 -0.800087D+00  0.106674D+01
                36            37            38            39            40 
      1  -0.343604D+00  0.344780D+02 -0.196031D+01  0.689478D+01  0.318429D+01
      2  -0.218201D+01 -0.225177D+02  0.132187D+01 -0.916942D+01 -0.221662D+01
      3   0.252561D+01 -0.119603D+02  0.638437D+00  0.227465D+01 -0.967669D+00
      4   0.931194D+00 -0.233219D+01  0.827555D+01  0.416032D+00  0.127742D+02
      5  -0.741930D+01  0.139380D+02 -0.114405D+01  0.139482D+02  0.278902D+01
      6  -0.982550D+00  0.680708D+00  0.107494D+01 -0.220729D+01  0.125855D+00
                41            42            43            44            45 
      1   0.588644D+01  0.469508D+01  0.102484D+02  0.229403D+00  0.285646D+01
      2  -0.182889D+01 -0.389221D+01 -0.102950D+02  0.731444D+00 -0.149937D+02
      3  -0.405756D+01 -0.802866D+00  0.465202D-01 -0.960847D+00  0.121372D+02
      4   0.942532D+01  0.539255D+01 -0.210962D+01  0.404348D+01 -0.790395D+00
      5   0.597993D+01  0.321515D+01  0.155862D+02 -0.190934D+01  0.169766D+02
      6  -0.154366D+01  0.483637D+01  0.250262D+00  0.451623D+01 -0.317930D+00
                46            47            48            49            50 
      1  -0.381405D+02  0.493361D+01  0.170401D+02 -0.169113D+01  0.164701D+02
      2   0.202587D+02 -0.963942D+01 -0.959473D+01 -0.563761D+01 -0.103667D+02
      3   0.178818D+02  0.470581D+01 -0.744537D+01  0.732873D+01 -0.610342D+01
      4   0.529646D+01  0.118086D+02 -0.216190D+01  0.129719D+02 -0.358650D+01
      5   0.123332D+02  0.442466D+00 -0.706158D+00  0.108042D+01  0.995612D+01
      6  -0.503557D+01 -0.255348D-01  0.578082D+00  0.648088D+00 -0.455762D+01
                51            52            53            54            55 
      1   0.304476D+01  0.209892D+02  0.159149D+01  0.414074D+01  0.110734D+02
      2  -0.901684D+01 -0.967429D+01 -0.866824D+01  0.644498D+01 -0.526951D+01
      3   0.597207D+01 -0.113149D+02  0.707675D+01 -0.105857D+02 -0.580386D+01
      4   0.614301D+01 -0.202020D+01  0.469677D+01  0.951419D+01 -0.397218D+01
      5   0.914848D+01 -0.400651D+01  0.105000D+02 -0.259599D+02  0.518449D+01
      6  -0.369735D+01  0.224774D+01 -0.417471D+01  0.125340D+02 -0.803808D+01
                56            57            58            59            60 
      1   0.113651D+02  0.208886D+01  0.804819D+01  0.167534D+01  0.255687D+01
      2  -0.195404D+02 -0.576556D+01 -0.151037D+02  0.467960D+01 -0.306585D+01
      3   0.817525D+01  0.367670D+01  0.705548D+01 -0.635494D+01  0.508973D+00
      4   0.253854D+01 -0.506036D+01  0.662274D+01 -0.174049D+02  0.261326D+01
      5  -0.326295D+01 -0.998123D+00 -0.208593D+01 -0.208325D+01 -0.328269D+00
      6  -0.254969D+01  0.597548D+01 -0.952633D+00 -0.443489D+01  0.400004D+01
                61            62            63            64            65 
      1  -0.346754D+00  0.295953D+01 -0.396815D+01  0.290435D+01  0.635900D+01
      2  -0.299320D+01 -0.509303D+01 -0.115014D+01  0.499402D+01 -0.235624D+01
      3   0.333996D+01  0.213350D+01  0.511830D+01 -0.789838D+01 -0.400276D+01
      4  -0.686746D+01  0.545382D+01  0.924833D+01  0.683268D+01  0.158275D+02
      5  -0.553137D+01  0.456958D+01  0.912360D+01 -0.149919D+01 -0.207689D+01
      6   0.109216D+02 -0.301472D+01 -0.691197D+01 -0.838374D+00 -0.116511D+01
                66            67            68            69            70 
      1  -0.629603D-01  0.397244D+01 -0.341951D+02  0.273585D+01  0.709693D+00
      2  -0.106988D+01  0.971444D+00  0.633658D+02 -0.301221D+01 -0.184127D+01
      3   0.113284D+01 -0.494388D+01 -0.291707D+02  0.276354D+00  0.113157D+01
      4  -0.171807D+01  0.207444D+02  0.316922D+02 -0.384302D+01 -0.183175D+01
      5   0.450074D+01 -0.146656D+01 -0.728588D+01  0.726723D+01  0.468377D+01
      6   0.100707D+01 -0.208414D+01 -0.444951D+01  0.174709D+02  0.178041D+01
                71            72            73            74            75 
      1   0.914868D-03 -0.766015D+01  0.489188D+00  0.384070D+00 -0.518201D+00
      2  -0.126727D+01  0.619799D+01 -0.502296D+01  0.856783D-01 -0.822539D+00
      3   0.126636D+01  0.146216D+01  0.453377D+01 -0.469748D+00  0.134074D+01
      4  -0.172381D+01  0.648906D+01  0.120004D+00  0.156010D+01 -0.627718D+00
      5   0.718925D+01 -0.256128D+01  0.106348D+01 -0.156416D+01  0.636143D+01
      6   0.153606D+02 -0.231561D+01 -0.198567D+01  0.261525D-01 -0.113194D+00
                76            77            78            79            80 
      1   0.253726D+00 -0.408519D+01  0.434273D+01 -0.404765D+00  0.321721D+01
      2   0.841457D+00 -0.157481D+01  0.419197D+01 -0.160591D+01  0.462536D+01
      3  -0.109518D+01  0.566000D+01 -0.853469D+01  0.201068D+01 -0.784257D+01
      4   0.216175D+01  0.789122D+00 -0.234662D+00 -0.876603D-02 -0.177190D+01
      5  -0.116302D+01  0.306590D+00 -0.128523D+00  0.507093D+01  0.934776D-01
      6   0.736290D+00 -0.436254D+01  0.803640D+01 -0.862967D+00  0.612469D+01
                81            82            83            84            85 
      1  -0.183024D+02  0.100638D+02  0.523539D+01  0.509148D+01  0.412452D+01
      2  -0.187818D+02 -0.243474D+01 -0.269850D+00 -0.208850D+01  0.163286D+01
      3   0.370842D+02 -0.762910D+01 -0.496554D+01 -0.300298D+01 -0.575737D+01
      4   0.939052D+00  0.127346D+02  0.140502D+02  0.593220D+01  0.147149D+02
      5  -0.281716D+00  0.866807D+01  0.523413D+01  0.758928D+01  0.530419D+01
      6  -0.494072D+01  0.465776D+01  0.397086D+01  0.363343D+01  0.455233D+01
                86            87            88            89            90 
      1  -0.249064D+00 -0.862709D-01  0.426008D+01 -0.103739D+01 -0.396132D+00
      2   0.104150D+02  0.345254D+01 -0.239001D+01  0.181976D+01 -0.128379D+01
      3  -0.101660D+02 -0.336627D+01 -0.187008D+01 -0.782368D+00  0.167992D+01
      4   0.216833D+02  0.928521D+01  0.536837D+01  0.879071D+01  0.917411D+01
      5   0.878914D+01  0.775317D+01  0.839343D+01  0.832297D+01  0.874141D+01
      6   0.106610D+02  0.851018D+01  0.408909D+01  0.919720D+01  0.804886D+01
                91            92            93            94            95 
      1   0.227631D+01 -0.293104D+01 -0.490931D+00 -0.102304D+02 -0.318690D+01
      2   0.660514D-01  0.613576D+00  0.193106D+01  0.633274D+01  0.287511D+01
      3  -0.234236D+01  0.231746D+01 -0.144013D+01  0.389769D+01  0.311789D+00
      4  -0.474405D+01  0.939913D+00 -0.193976D+01  0.114705D+01 -0.152558D+02
      5  -0.720563D+00 -0.196181D+01 -0.439010D+00 -0.702566D+01 -0.103229D+01
      6  -0.548055D+00  0.175931D+01 -0.645484D+00  0.350261D+01 -0.175731D+01
                96            97            98            99           100 
      1  -0.481526D+01 -0.272572D+01 -0.107965D+01 -0.193515D+01 -0.492525D+01
      2   0.568927D+01  0.215184D+01  0.111218D+00  0.201105D+01  0.829724D+01
      3  -0.874014D+00  0.573880D+00  0.968434D+00 -0.758971D-01 -0.337199D+01
      4   0.362530D+00 -0.308433D+01 -0.614159D-01 -0.266872D+01  0.754968D+01
      5  -0.766290D+01  0.130546D+00 -0.286309D+01  0.575120D+00  0.306529D+01
      6   0.289216D+01  0.188256D+00  0.265614D+01 -0.262213D+01  0.226232D+01
               101           102           103           104           105 
      1  -0.114716D+02 -0.207227D+01 -0.754339D+01 -0.199139D+02 -0.411699D+01
      2   0.176567D+02  0.151503D+01  0.106397D+02  0.304567D+02  0.352674D+01
      3  -0.618516D+01  0.557245D+00 -0.309634D+01 -0.105428D+02  0.590246D+00
      4   0.729979D+01  0.299636D+00  0.698928D+01  0.557930D+01 -0.883294D-02
      5   0.250031D+01  0.983287D+00  0.265735D+01  0.207757D+01 -0.686165D+00
      6   0.676000D+01  0.324849D+01  0.335344D+01  0.112498D+02  0.675266D+01
               106           107           108           109           110 
      1   0.960251D+00 -0.200693D+01 -0.170113D+01  0.424466D+01  0.760541D+00
      2  -0.385755D+00  0.186957D+01  0.186963D+01 -0.442646D+01 -0.140143D+01
      3  -0.574496D+00  0.137353D+00 -0.168499D+00  0.181801D+00  0.640888D+00
      4   0.226446D+00 -0.243037D+00  0.307932D+00 -0.122777D+02  0.792614D+01
      5   0.223523D+01  0.133356D+00  0.579313D+00 -0.131597D+02  0.640972D+01
      6  -0.572613D-01  0.541171D+01  0.190904D+01  0.104096D+02 -0.753895D+01
               111           112           113           114           115 
      1  -0.404537D+00  0.110346D+01 -0.371356D+01 -0.292254D+01  0.465334D+00
      2   0.409892D+01 -0.196140D+01  0.418633D+01  0.305085D+01  0.420563D+01
      3  -0.369439D+01  0.857936D+00 -0.472766D+00 -0.128313D+00 -0.467096D+01
      4   0.878832D+01  0.581840D+01 -0.506872D+01 -0.442233D+01  0.103894D+02
      5   0.123676D+02  0.267097D+01 -0.447062D+01 -0.305243D+01  0.137952D+02
      6  -0.121012D+02 -0.497418D+01  0.712861D+01  0.789951D+01 -0.125644D+02
               116           117           118           119           120 
      1  -0.455406D+01 -0.417778D+01  0.685587D+02 -0.630359D+01 -0.107005D+02
      2   0.259562D+01 -0.445448D+01 -0.338655D+02  0.136180D+01  0.550770D+01
      3   0.195844D+01  0.863226D+01 -0.346932D+02  0.494179D+01  0.519278D+01
      4  -0.723044D+01 -0.107949D+02 -0.174603D+02  0.106534D+02  0.223964D+01
      5  -0.715854D+01 -0.145147D+02 -0.599138D+01  0.214204D-01  0.103636D+02
      6   0.118932D+02  0.161883D+02  0.334683D+01 -0.421533D-01 -0.315044D+01
               121           122           123           124           125 
      1   0.317134D+01  0.546469D+01 -0.863623D+00 -0.167933D+02  0.159372D+01
      2  -0.337353D+01 -0.106416D+01  0.167653D+01  0.861270D+01  0.789937D+00
      3   0.202185D+00 -0.440053D+01 -0.812907D+00  0.818059D+01 -0.238366D+01
      4   0.859567D+01 -0.139523D+01 -0.294932D+01  0.496993D+01 -0.424582D+01
      5  -0.827531D-02 -0.253775D+01  0.362043D+00  0.112352D+02 -0.194224D+01
      6  -0.283795D+00  0.100870D+01  0.126520D+01 -0.299258D+01  0.170892D+01
               126           127           128           129           130 
      1   0.845782D+01 -0.150593D+01 -0.555246D+01 -0.396609D+01 -0.737021D+01
      2  -0.617983D+01  0.313848D+01  0.681430D+01  0.277436D+01  0.637274D+01
      3  -0.227799D+01 -0.163255D+01 -0.126184D+01  0.119172D+01  0.997469D+00
      4  -0.298697D+01  0.124823D+01 -0.270748D+01  0.919490D+00  0.275035D+01
      5  -0.420889D+01 -0.286040D+01 -0.818906D+00 -0.189874D+01 -0.169612D+01
      6   0.680849D+00  0.185198D+01  0.641382D+00  0.216667D+01  0.873787D+00
               131           132           133           134           135 
      1  -0.155908D+02 -0.457992D+01 -0.597654D+01 -0.430463D+01 -0.542355D+01
      2   0.254539D+02  0.730006D+01  0.320915D+01  0.770199D+01  0.367951D+01
      3  -0.986311D+01 -0.272014D+01  0.276739D+01 -0.339736D+01  0.174403D+01
      4  -0.148822D+02 -0.338985D+01  0.267678D+01 -0.633109D+01 -0.386584D+01
      5  -0.543640D+01 -0.636917D+01  0.218986D+00 -0.546612D+01 -0.181547D+01
      6   0.437043D+01  0.624561D+01  0.835065D+00  0.625668D+01  0.334516D+01
               136           137           138           139           140 
      1   0.553137D+01 -0.222926D+01  0.398118D+01 -0.194231D+00 -0.485310D+01
      2  -0.497955D+01  0.176478D+01 -0.282032D+01  0.466143D+00  0.312867D+01
      3  -0.551811D+00  0.464482D+00 -0.116086D+01 -0.271912D+00  0.172443D+01
      4  -0.315355D+01  0.150956D+01 -0.315377D+01  0.251807D+01 -0.486183D+01
      5   0.551098D+01 -0.256569D+01  0.830910D+01 -0.242675D+01  0.573674D+01
      6  -0.219060D+01  0.908584D+00 -0.172567D+01  0.188809D+01 -0.538186D+01
               141           142           143           144           145 
      1   0.238917D+01  0.524507D+01  0.228181D+01 -0.956870D+01  0.338551D+02
      2  -0.129007D+01 -0.520266D+01 -0.587967D-01 -0.136432D+02 -0.231574D+02
      3  -0.109910D+01 -0.424124D-01 -0.222301D+01  0.232119D+02 -0.106977D+02
      4   0.611221D+01 -0.629588D+01  0.865995D+01 -0.931893D+01  0.156807D+02
      5  -0.664620D+01  0.132707D+02 -0.110223D+02  0.370880D+02 -0.340575D+02
      6   0.959206D+01 -0.390447D+01  0.105950D+02 -0.193119D+02 -0.696856D+01
               146           147           148           149           150 
      1   0.319158D+01 -0.970353D+01  0.224712D+01  0.148627D+01 -0.406274D+00
      2  -0.153601D+01  0.128827D+02 -0.547179D+00 -0.472806D+00 -0.844503D+00
      3  -0.165557D+01 -0.317914D+01 -0.169994D+01 -0.101347D+01  0.125078D+01
      4   0.904475D+01 -0.771716D+01  0.833886D+01  0.446063D+01 -0.474678D+01
      5  -0.579308D+01  0.226798D+02 -0.358657D+01 -0.514602D+01  0.222918D+01
      6  -0.495702D+01  0.609104D+01 -0.398418D+01 -0.336815D+01  0.499219D+01
               151           152           153           154           155 
      1  -0.557451D+01 -0.632167D+00  0.439169D+01 -0.445237D+01  0.850837D+01
      2   0.920240D+01  0.424238D+00 -0.992427D+01  0.404218D+01 -0.838616D+01
      3  -0.362788D+01  0.207929D+00  0.553258D+01  0.410186D+00 -0.122215D+00
      4  -0.500593D+01 -0.318760D+01  0.446508D+01 -0.142489D+01  0.148051D+01
      5   0.176016D+02  0.300930D+01 -0.150706D+02  0.170280D+01 -0.330858D+01
      6   0.457120D+01  0.406145D+01 -0.392112D+01 -0.500704D+01  0.818168D+01
               156           157           158           159           160 
      1  -0.651446D+01  0.775682D+01 -0.207070D+02  0.860141D+01 -0.373515D+01
      2   0.125541D+01 -0.792814D+01  0.229548D+02 -0.404157D+01  0.641428D+00
      3   0.525905D+01  0.171323D+00 -0.224780D+01 -0.455985D+01  0.309372D+01
      4  -0.519178D+00  0.249101D+01  0.639321D+01 -0.376091D+01 -0.650504D+00
      5   0.184841D+01 -0.447904D+01  0.631219D+00  0.209701D+01  0.271301D+01
      6  -0.500058D+01  0.595279D+01 -0.202798D+02  0.129142D+02 -0.368379D+01
               161           162           163           164           165 
      1   0.623994D+01 -0.732533D+01 -0.206531D+01 -0.130818D+01 -0.670319D+01
      2  -0.277262D+01  0.256985D+01 -0.232610D+01 -0.209711D+01 -0.159450D+01
      3  -0.346732D+01  0.475548D+01  0.439141D+01  0.340529D+01  0.829768D+01
      4  -0.169458D+01  0.243183D+00  0.126514D+00 -0.868297D+00 -0.131274D+01
      5   0.373472D-01  0.894861D+00  0.528989D+00  0.195393D+01  0.315190D+01
      6   0.105650D+02 -0.669023D+01  0.199146D+01  0.484360D+01  0.198835D+01
               166           167           168           169           170 
      1  -0.269969D+01 -0.797928D+01 -0.793698D+01 -0.483555D+01 -0.497833D+01
      2  -0.708485D+00  0.105373D+00 -0.592088D+01 -0.723179D+00 -0.448776D+01
      3   0.340818D+01  0.787390D+01  0.138579D+02  0.555873D+01  0.946609D+01
      4  -0.774071D+00 -0.570563D+01 -0.372028D+01 -0.136658D+01 -0.317790D+01
      5   0.360778D+01  0.213546D+00 -0.396927D+01  0.434626D+01 -0.583675D+00
      6   0.413472D+01  0.105934D+02  0.811581D+01  0.214128D+01  0.774970D+01
               171 
      1  -0.103347D+02
      2  -0.821512D+01
      3   0.185498D+02
      4  -0.302961D+01
      5  -0.242016D+01
      6   0.673911D+01
 Leave Link  716 at Thu Aug 12 22:04:05 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.799369D+02 -0.264657D+01  0.165516D+01
      2  -0.264657D+01  0.815930D+02 -0.154807D+01
      3   0.165516D+01 -0.154807D+01  0.720449D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.182826D+01  0.172480D+01  0.748240D+01
      2   0.103598D+02  0.192478D+01 -0.274416D+02
      3  -0.994397D+01  0.138512D+02  0.198806D+00
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.769307D+02  0.993509D+01  0.207440D+02
      2   0.432184D+02 -0.710609D+01 -0.146194D+02
      3   0.337123D+02 -0.282900D+01 -0.612464D+01
      4  -0.115552D+02 -0.252272D+02  0.119627D+02
      5   0.156140D+02  0.902854D+01 -0.519211D+02
      6   0.117652D+02 -0.110054D+02 -0.194577D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.517894D+01  0.153701D+01 -0.406865D+01  0.113333D+01 -0.353042D+01
      2   0.153701D+01 -0.357167D+01 -0.745309D+00 -0.353042D+01  0.164242D+01
      3  -0.406865D+01 -0.745309D+00  0.276834D+00 -0.478002D+00 -0.288602D+01
                 6             7             8             9            10 
      1  -0.478002D+00 -0.322627D+01 -0.561551D+00 -0.143599D+00 -0.477980D+01
      2  -0.288602D+01 -0.561551D+00 -0.220897D+01 -0.228349D+01 -0.203570D+00
      3  -0.185964D+01 -0.143599D+00 -0.228349D+01  0.262125D+01  0.336420D+01
                11            12            13            14            15 
      1  -0.203570D+00  0.336420D+01  0.839235D+00  0.449254D+01  0.802840D+00
      2   0.373278D+01  0.811871D+00  0.449254D+01  0.129796D+01  0.306028D+01
      3   0.811871D+00  0.275615D+00  0.802840D+00  0.306028D+01  0.284375D+01
                16            17            18            19            20 
      1   0.458950D+01  0.100973D+01  0.269563D+00  0.472437D+01 -0.365508D-01
      2   0.100973D+01  0.287498D+01  0.346597D+01 -0.365508D-01 -0.190133D+01
      3   0.269563D+00  0.346597D+01 -0.362044D+01 -0.213338D+01 -0.119912D+01
                21            22            23            24            25 
      1  -0.213338D+01  0.527738D-01 -0.267100D+01 -0.111710D+01 -0.255956D+01
      2  -0.119912D+01 -0.267100D+01  0.181430D+00  0.176309D-01 -0.139569D+01
      3   0.584051D+00 -0.111710D+01  0.176309D-01 -0.263581D+01  0.107045D+01
                26            27            28            29            30 
      1  -0.139569D+01  0.107045D+01  0.397423D+00  0.605125D+00  0.314348D+00
      2  -0.532428D+00 -0.298188D+01  0.605125D+00  0.202615D+01  0.102229D+01
      3  -0.298188D+01  0.441456D+01  0.314348D+00  0.102229D+01  0.481209D+00
                31            32            33            34            35 
      1  -0.108737D+01  0.421344D+00  0.850104D+00 -0.541086D+00  0.113808D+01
      2   0.421344D+00 -0.529721D+01  0.141453D+01  0.113808D+01  0.188900D+01
      3   0.850104D+00  0.141453D+01  0.633924D+00 -0.951870D-01  0.122194D+01
                36            37            38            39            40 
      1  -0.951870D-01  0.521239D+01 -0.784499D+00  0.195816D+01  0.704874D+00
      2   0.122194D+01 -0.784499D+00  0.523894D+00  0.971243D-01  0.183614D+01
      3  -0.893932D-01  0.195816D+01  0.971243D-01  0.124023D+01  0.123543D+01
                41            42            43            44            45 
      1   0.183614D+01  0.123543D+01  0.248586D+01  0.120778D+00  0.218221D+01
      2   0.342839D+01  0.186578D+01  0.120778D+00  0.658785D+00 -0.564627D+00
      3   0.186578D+01  0.111777D+01  0.218221D+01 -0.564627D+00  0.328464D+01
                46            47            48            49            50 
      1   0.584419D+01  0.297176D+00 -0.288125D+01  0.101697D+01 -0.336090D+01
      2   0.297176D+00 -0.326517D+01 -0.361105D+00 -0.336090D+01 -0.538814D+00
      3  -0.288125D+01 -0.361105D+00  0.366625D+00 -0.586046D+00 -0.201421D+01
                51            52            53            54            55 
      1  -0.586046D+00 -0.343281D+01 -0.445986D+00  0.109501D+01  0.959651D+00
      2  -0.201421D+01 -0.445986D+00 -0.164774D+01 -0.273293D+01  0.559179D+00
      3  -0.206143D+01  0.109501D+01 -0.273293D+01  0.613146D+01  0.198166D+01
                56            57            58            59            60 
      1   0.559179D+00  0.198166D+01  0.290566D+00  0.339280D+01 -0.275384D-01
      2   0.341727D+01  0.152629D+00  0.339280D+01 -0.676680D+00  0.878292D+00
      3   0.152629D+00 -0.197714D+01 -0.275384D-01  0.878292D+00  0.689761D+00
                61            62            63            64            65 
      1   0.290214D+01 -0.100843D+01 -0.237991D+01 -0.981814D+00  0.288202D+01
      2  -0.100843D+01  0.196430D+01  0.913063D+00  0.288202D+01  0.311143D+00
      3  -0.237991D+01  0.913063D+00  0.180885D+01 -0.499892D+00 -0.344190D+00
                66            67            68            69            70 
      1  -0.499892D+00  0.395225D+01  0.951351D+00 -0.477624D-01 -0.357436D+00
      2  -0.344190D+00  0.951351D+00  0.132126D+02 -0.138174D+01 -0.414720D+00
      3  -0.260680D+00 -0.477624D-01 -0.138174D+01  0.209761D+01  0.228784D+00
                71            72            73            74            75 
      1  -0.414720D+00  0.228784D+00 -0.120221D+01  0.544025D+00 -0.955895D+00
      2  -0.775292D+00  0.262276D+01  0.544025D+00  0.689017D-02  0.150467D+00
      3   0.262276D+01 -0.863147D+00 -0.955895D+00  0.150467D+00 -0.297054D+00
                76            77            78            79            80 
      1   0.708457D+00  0.120115D+00  0.156775D+00 -0.121733D+01  0.469639D+00
      2   0.120115D+00  0.127714D+01 -0.164719D+01  0.469639D+00 -0.183658D+01
      3   0.156775D+00 -0.164719D+01  0.192418D+01 -0.104910D+00  0.170585D+01
                81            82            83            84            85 
      1  -0.104910D+00 -0.234198D+01 -0.175192D+01 -0.175066D+01 -0.230878D+01
      2   0.170585D+01 -0.175192D+01 -0.236918D+01 -0.792250D+00 -0.256634D+01
      3  -0.779653D+01 -0.175066D+01 -0.792250D+00 -0.127213D+01 -0.822717D+00
                86            87            88            89            90 
      1  -0.256634D+01 -0.822717D+00 -0.220205D+01 -0.795480D+00 -0.127368D+01
      2  -0.512994D+01 -0.221719D+01 -0.795480D+00 -0.226111D+01 -0.219688D+01
      3  -0.221719D+01 -0.216940D+01 -0.127368D+01 -0.219688D+01 -0.202580D+01
                91            92            93            94            95 
      1   0.985823D+00 -0.705710D+00 -0.514488D-01 -0.228486D+01 -0.126404D+00
      2  -0.705710D+00 -0.924450D-01 -0.607570D+00 -0.126404D+00 -0.481474D+01
      3  -0.514488D-01 -0.607570D+00  0.208506D-01 -0.165313D+01 -0.583201D+00
                96            97            98            99           100 
      1  -0.165313D+01 -0.161885D-01 -0.691601D+00 -0.791728D-01 -0.214093D+01
      2  -0.583201D+00 -0.691601D+00 -0.314812D+00 -0.888728D+00 -0.172880D+01
      3  -0.220454D+01 -0.791728D-01 -0.888728D+00  0.634936D+00 -0.149413D-01
               101           102           103           104           105 
      1  -0.172880D+01 -0.149413D-01 -0.205029D+01 -0.191535D+01 -0.224158D+00
      2  -0.375048D+01 -0.588815D+00 -0.191535D+01 -0.609680D+01 -0.107041D+01
      3  -0.588815D+00 -0.589582D+00 -0.224158D+00 -0.107041D+01 -0.119084D+01
               106           107           108           109           110 
      1   0.169876D+00  0.513260D-02  0.124751D+00  0.351059D+01 -0.159118D+01
      2   0.513260D-02 -0.566130D+00 -0.733977D+00 -0.159118D+01  0.155746D+01
      3   0.124751D+00 -0.733977D+00 -0.243503D+00 -0.229828D+01  0.118780D+01
               111           112           113           114           115 
      1  -0.229828D+01 -0.710888D+00  0.969620D+00  0.602308D+00 -0.296639D+01
      2   0.118780D+01  0.969620D+00 -0.140648D+01 -0.115886D+01  0.153068D+01
      3   0.294022D+01  0.602308D+00 -0.115886D+01 -0.976315D+00  0.293001D+01
               116           117           118           119           120 
      1   0.153068D+01  0.293001D+01 -0.100962D+02  0.133717D+01  0.163135D+01
      2  -0.196198D+01 -0.199391D+01  0.133717D+01 -0.114470D+01 -0.116963D-01
      3  -0.199391D+01 -0.367152D+01  0.163135D+01 -0.116963D-01 -0.150145D+01
               121           122           123           124           125 
      1  -0.454798D+00 -0.889250D+00  0.469775D-01  0.273074D+01 -0.415704D+00
      2  -0.889250D+00  0.170291D+00  0.540873D+00 -0.415704D+00  0.760972D+00
      3   0.469775D-01  0.540873D+00 -0.538475D-01 -0.171848D+01  0.402891D+00
               126           127           128           129           130 
      1  -0.171848D+01  0.122850D+01  0.744844D+00  0.813049D+00  0.144489D+01
      2   0.402891D+00  0.744844D+00  0.178529D+01  0.343806D+00  0.691640D+00
      3   0.524133D+00  0.813049D+00  0.343806D+00  0.702959D+00  0.340764D+00
               131           132           133           134           135 
      1   0.691640D+00  0.340764D+00  0.127057D+01  0.909158D-01  0.197788D+00
      2   0.530582D+01  0.131775D+01  0.909158D-01  0.216749D+01  0.155067D+01
      3   0.131775D+01  0.158975D+01  0.197788D+00  0.155067D+01  0.741495D+00
               136           137           138           139           140 
      1  -0.109589D+01  0.420936D+00 -0.103599D+01  0.155371D+00 -0.866045D-01
      2   0.420936D+00  0.170633D+00  0.248505D+00 -0.866045D-01  0.123843D+01
      3  -0.103599D+01  0.248505D+00 -0.653810D+00  0.396033D+00 -0.133779D+01
               141           142           143           144           145 
      1   0.396033D+00 -0.170711D+01  0.860816D+00 -0.165059D+01 -0.777011D+01
      2  -0.133779D+01  0.860816D+00 -0.195443D+01  0.246118D+01 -0.119692D+01
      3   0.143234D+01 -0.165059D+01  0.246118D+01 -0.834137D+01  0.359111D+01
               146           147           148           149           150 
      1  -0.119692D+01  0.359111D+01 -0.889242D+00 -0.899753D+00  0.430796D+00
      2  -0.104440D+01  0.771446D+00 -0.899753D+00 -0.844950D+00  0.100467D+01
      3   0.771446D+00 -0.311789D+01  0.430796D+00  0.100467D+01 -0.168538D+00
               151           152           153           154           155 
      1   0.235082D+01  0.449887D+00 -0.224251D+01  0.154375D+01 -0.168839D+01
      2   0.449887D+00  0.648594D+00 -0.294478D+00 -0.168839D+01  0.225944D+01
      3  -0.224251D+01 -0.294478D+00  0.213159D+01  0.802359D+00 -0.673078D+00
               156           157           158           159           160 
      1   0.802359D+00 -0.184982D+01  0.194874D+01 -0.326280D+00  0.565264D+00
      2  -0.673078D+00  0.194874D+01 -0.572827D+01  0.227909D+01 -0.361378D+00
      3   0.135759D+01 -0.326280D+00  0.227909D+01 -0.208948D+01  0.838705D+00
               161           162           163           164           165 
      1  -0.361378D+00  0.838705D+00  0.823309D+00  0.760075D+00  0.123415D+01
      2   0.148610D+01 -0.129306D+01  0.760075D+00  0.134842D+01  0.537200D+00
      3  -0.129306D+01  0.997373D+00  0.123415D+01  0.537200D+00  0.142355D+01
               166           167           168           169           170 
      1   0.133735D+01  0.122173D+01  0.420718D+00  0.116147D+01  0.414884D+00
      2   0.122173D+01  0.277940D+01  0.191774D+01  0.414884D+00  0.160925D+01
      3   0.420718D+00  0.191774D+01  0.308078D+01  0.750773D+00  0.161962D+01
               171 
      1   0.750773D+00
      2   0.161962D+01
      3   0.336141D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.495826D+00 -0.742962D+01 -0.910297D+00 -0.638807D+01  0.198294D+01
      2  -0.257621D+01 -0.273346D+01  0.109353D+02 -0.186555D+01  0.106667D+02
      3  -0.202590D+01 -0.863890D+01  0.246994D+01 -0.415826D+01  0.489691D+01
                 6             7             8             9            10 
      1  -0.108051D+02 -0.106381D+01 -0.414734D+01 -0.304806D+00  0.150644D+01
      2   0.361160D+01  0.410575D+01  0.420950D+01 -0.399726D+01 -0.821166D+01
      3  -0.398158D+01  0.156623D+01 -0.264287D+01 -0.319139D+01  0.242793D+01
                11            12            13            14            15 
      1   0.637451D-01  0.117697D+00  0.112522D-01  0.592799D+00 -0.358280D+01
      2  -0.202530D+01  0.440090D+01  0.142413D+01 -0.244791D+01 -0.329833D+01
      3   0.318577D+01  0.161216D+01  0.984476D+01 -0.101584D+01  0.376498D+01
                16            17            18            19            20 
      1  -0.140312D+01  0.276960D+01 -0.200863D+01 -0.151763D+01  0.192888D+01
      2  -0.172917D+01 -0.235041D+01  0.502137D+01  0.145872D+01  0.285962D+00
      3  -0.117148D+01  0.294255D+01  0.404283D+01 -0.765127D+00 -0.376259D+01
                21            22            23            24            25 
      1  -0.596328D+00  0.418681D+01  0.229585D+00 -0.362173D+00  0.268046D+01
      2  -0.739115D+00 -0.108224D+01 -0.234767D+01  0.196328D+01 -0.785628D+01
      3   0.189697D-01  0.379618D+01 -0.584810D+00 -0.250057D+01  0.117808D+01
                26            27            28            29            30 
      1   0.391086D+01  0.309376D+01 -0.144399D+01 -0.412202D+01  0.453821D+00
      2  -0.139159D+01  0.356483D+01  0.119159D+02  0.438905D+01  0.271728D+01
      3  -0.806409D+00 -0.260502D+00 -0.272839D+01 -0.747142D+01 -0.228653D+01
                31            32            33            34            35 
      1  -0.392420D+01 -0.328815D-01  0.655607D+01  0.244782D+01  0.715053D+01
      2  -0.726095D+00  0.152807D+01 -0.993695D+00 -0.866690D+01 -0.296557D+01
      3  -0.567923D+01  0.819938D+01  0.223039D+01 -0.264664D+00  0.345637D+01
                36            37            38            39            40 
      1  -0.126714D+01 -0.819855D+00  0.378011D+01  0.645778D+00  0.318559D+01
      2  -0.860861D+01 -0.198204D+01 -0.117937D+01  0.482936D+01  0.321318D+00
      3   0.151099D+00  0.219474D+01 -0.696287D+01  0.724889D+00 -0.187224D+01
                41            42            43            44            45 
      1   0.788062D+01  0.380839D+00 -0.990695D+00  0.488055D+01 -0.500993D+00
      2   0.328986D+01  0.339195D+01  0.254818D+01  0.113261D+01  0.868904D+01
      3  -0.119651D+02 -0.628146D+01 -0.196501D+01 -0.574790D+01  0.811117D+00
                46            47            48            49            50 
      1   0.314245D+01  0.248874D+01 -0.477973D+00  0.244406D+01  0.232258D+01
      2   0.102418D+02  0.935176D+00 -0.556967D+00  0.147339D+01  0.280359D+01
      3   0.827126D+01 -0.119799D+02 -0.426170D+01 -0.488340D+01 -0.627104D+01
                51            52            53            54            55 
      1   0.174554D+01 -0.265055D+01  0.727302D+01 -0.724948D+01  0.424346D+01
      2   0.472550D+01 -0.739844D+01  0.676767D+01 -0.134325D+02  0.327464D+01
      3  -0.562936D+01 -0.489822D+01 -0.499686D+01 -0.512091D+01 -0.359835D+01
                56            57            58            59            60 
      1  -0.341114D+01 -0.353257D+01 -0.369123D+01  0.394613D+01 -0.372295D+01
      2  -0.717864D+00  0.236118D+01 -0.893122D+00  0.446280D+01 -0.107388D+01
      3  -0.120013D+02 -0.446341D+01 -0.145397D+01 -0.674481D+01 -0.116426D+01
                61            62            63            64            65 
      1  -0.574764D+01  0.572366D+01  0.368839D+01  0.139062D+01  0.182533D+00
      2  -0.522907D+01  0.121996D+01  0.157538D+01 -0.352888D+01 -0.181088D+01
      3  -0.329787D+01 -0.846875D+00  0.438847D+01 -0.459292D+01  0.408786D+00
                66            67            68            69            70 
      1  -0.731245D+00 -0.842154D+00 -0.747738D+00 -0.122631D+02 -0.703023D+00
      2   0.158471D+01  0.335624D+01 -0.245431D+00  0.251564D+01 -0.162799D+01
      3   0.741427D+00  0.133226D+02 -0.157883D+02  0.136008D+01  0.643960D+00
                71            72            73            74            75 
      1  -0.330045D+00  0.459977D+00 -0.981733D+00  0.359702D+00 -0.229949D+00
      2   0.495597D+01  0.112365D+01 -0.142780D+01  0.789083D+00 -0.222913D+00
      3  -0.294554D-01 -0.446778D+01  0.388848D+00 -0.457693D+00  0.488927D+00
                76            77            78            79            80 
      1  -0.753895D-01 -0.251242D+01  0.798076D+00 -0.974484D+00  0.460151D+01
      2   0.155195D+01 -0.654063D+00 -0.279847D-01 -0.347483D+01  0.773459D+00
      3   0.165501D+01 -0.405891D-01  0.791602D+00 -0.244812D+00  0.124012D+00
                81            82            83            84            85 
      1  -0.200942D+01 -0.465936D+00  0.632334D+00 -0.122859D+01  0.498375D+00
      2  -0.199667D+00  0.955595D+00  0.435700D+00  0.229300D+01 -0.134714D+01
      3  -0.261398D+00 -0.488904D+00 -0.401727D+01 -0.160881D+00  0.614834D+00
                86            87            88            89            90 
      1   0.102286D+01 -0.236089D+01 -0.328825D+00  0.130453D+01 -0.732844D+00
      2   0.146305D+01  0.340024D+01 -0.138668D+01  0.241724D+01  0.233774D+01
      3  -0.660351D+01 -0.303872D+01  0.146176D+01 -0.320146D+01 -0.252593D+01
                91            92            93            94            95 
      1  -0.123092D+00 -0.250824D+01 -0.501869D-01 -0.251683D+01 -0.100714D+02
      2   0.176500D+01 -0.254019D+00 -0.140760D+00 -0.845880D+00 -0.180708D+01
      3   0.296353D+00  0.120227D+01  0.110772D+01  0.284594D+01  0.161503D+02
                96            97            98            99           100 
      1  -0.342391D+01 -0.893200D+00 -0.116009D+01  0.920457D+00  0.107745D+01
      2  -0.494360D+01 -0.119677D+01 -0.234730D+01 -0.370112D+00 -0.176157D+01
      3   0.429618D+01  0.799883D+00  0.352871D+01  0.251750D+01  0.831656D+01
               101           102           103           104           105 
      1   0.202718D+01 -0.179881D+01  0.539702D+00  0.249476D+01 -0.282855D+01
      2  -0.840413D+00  0.665305D+00 -0.150678D+01 -0.175426D+01 -0.306284D+00
      3   0.600236D+01  0.228296D+00  0.756347D+01  0.932843D+01  0.192871D+01
               106           107           108           109           110 
      1   0.377672D+00  0.316737D-01  0.600635D+00 -0.339136D+01  0.106198D+01
      2   0.167048D+00 -0.168782D+00  0.392625D+00  0.480784D+00  0.398182D+00
      3  -0.694905D+00  0.458747D+00  0.761205D-01 -0.516265D+01  0.756987D+00
               111           112           113           114           115 
      1   0.605691D+01  0.536742D+00 -0.109360D+01 -0.181998D+01  0.474249D+01
      2   0.280795D+01 -0.319043D-01 -0.276439D+00 -0.845903D+00 -0.380072D+00
      3   0.317202D+01  0.147791D+01  0.147627D+00 -0.202224D+00  0.453102D+01
               116           117           118           119           120 
      1  -0.121247D+01 -0.577275D+01 -0.264486D+01  0.374251D-01  0.196039D+01
      2  -0.108539D+01 -0.256623D+01 -0.835273D+01  0.407276D+00  0.714917D+01
      3  -0.297773D+00 -0.397931D+01 -0.831574D+01 -0.410246D+01  0.219403D+01
               121           122           123           124           125 
      1   0.449912D+00 -0.622692D+00 -0.956001D+00  0.169014D+01  0.254875D+00
      2  -0.154410D+00 -0.185317D+01  0.205677D+00  0.430883D+01 -0.889915D+00
      3  -0.141242D+01 -0.621984D+00  0.150653D+01  0.223152D+01  0.234722D+01
               126           127           128           129           130 
      1  -0.878955D+00 -0.141579D+01 -0.999147D+00 -0.153785D+01 -0.117221D+01
      2  -0.270768D+01 -0.162565D+01 -0.431479D+00 -0.679819D+00 -0.661491D+00
      3  -0.671153D+00  0.592359D+01  0.531138D+01  0.223985D+01  0.698638D+01
               131           132           133           134           135 
      1  -0.376106D+01 -0.462065D+01 -0.390494D+00 -0.162560D+01 -0.209446D+01
      2  -0.269925D+01 -0.305297D+01 -0.140646D+01 -0.308826D+01 -0.141781D+01
      3   0.135082D+02  0.427449D+01  0.276061D+01  0.528918D+01  0.388329D+01
               136           137           138           139           140 
      1   0.683682D+00 -0.445772D+00  0.564066D+00 -0.540971D+00  0.253832D+00
      2   0.159938D+01 -0.559553D+00  0.167847D+01 -0.381740D+00  0.271085D+01
      3   0.147468D+00  0.242900D+00 -0.197328D+00  0.145484D+01  0.279732D+01
               141           142           143           144           145 
      1  -0.199017D+01  0.773292D+00  0.124955D+01  0.860890D+01  0.111570D+01
      2  -0.308528D+01 -0.632886D+00 -0.435309D+01  0.176669D+02  0.834077D+01
      3  -0.245684D+01 -0.457547D+00 -0.391176D+01  0.427679D+01  0.509743D+01
               146           147           148           149           150 
      1  -0.195135D+01 -0.160061D+01 -0.667411D+00 -0.281919D+00  0.455431D+00
      2   0.476278D+00  0.156707D+01  0.867109D+00 -0.560009D+00 -0.264651D+00
      3  -0.289145D+01 -0.148402D+01  0.335216D+00 -0.680441D+00  0.113448D+01
               151           152           153           154           155 
      1  -0.105825D+01  0.198261D+01  0.116925D+01 -0.256113D+01  0.441590D+01
      2  -0.234041D+01 -0.528048D+00 -0.176831D+00 -0.545796D+01  0.411208D+01
      3  -0.133463D+01  0.128609D+01  0.146525D+01 -0.515303D+01  0.377492D+01
               156           157           158           159           160 
      1   0.135829D+01  0.397098D+01 -0.823718D+01 -0.778077D+00  0.490571D+00
      2  -0.157372D+01  0.475564D+01 -0.698440D+01  0.262611D+01 -0.294183D+01
      3  -0.112798D+01  0.675106D+01 -0.879301D+01  0.273776D+01 -0.102212D+01
               161           162           163           164           165 
      1   0.230945D+01 -0.110817D+01  0.270140D+01  0.388876D+01  0.153746D+01
      2   0.237386D+01 -0.233734D+01 -0.428266D+01 -0.245272D+01 -0.305233D+01
      3   0.181102D+01 -0.276284D+01  0.109075D+01  0.602620D+00 -0.239447D+00
               166           167           168           169           170 
      1   0.316960D+01  0.741109D+01  0.355433D+01  0.167772D+01  0.583104D+01
      2  -0.425343D+01 -0.529526D+01 -0.454743D+01 -0.483225D+01 -0.335725D+01
      3   0.278158D+01  0.275660D+01  0.205634D+01  0.178207D+00  0.123747D+01
               171 
      1   0.460933D+01
      2  -0.538401D+01
      3   0.162874D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.137444D+02 -0.817970D+01  0.168670D+02 -0.711163D+01  0.187216D+02
      2   0.131108D+02  0.124266D+02 -0.869034D+01  0.108787D+02 -0.893917D+01
      3   0.633593D+00 -0.424689D+01 -0.817667D+01 -0.376706D+01 -0.978242D+01
      4  -0.108170D+02  0.475847D+01  0.732300D+01  0.582311D+01  0.167684D+01
      5   0.246994D+02  0.533510D+01 -0.120778D+02  0.346021D+01 -0.180367D+01
      6   0.858841D+01 -0.944335D+01 -0.340828D+01 -0.884074D+01  0.622669D+01
                 6             7             8             9            10 
      1   0.396214D+01  0.129331D+02  0.385433D+01 -0.709837D+01  0.100385D+02
      2   0.832623D+01 -0.640312D+01  0.684771D+01 -0.948675D+00 -0.114351D+02
      3  -0.122884D+02 -0.653002D+01 -0.107020D+02  0.804705D+01  0.139664D+01
      4   0.518663D+01  0.620405D+01  0.429348D+01  0.541366D+01 -0.362516D+01
      5   0.153373D+01 -0.936224D+01  0.336689D+01 -0.543446D+01 -0.106430D+02
      6  -0.754536D+01 -0.217466D+01 -0.552559D+01 -0.799523D+01 -0.577578D+01
                11            12            13            14            15 
      1   0.737659D+00 -0.917476D+01  0.323415D+01 -0.111912D+02 -0.162253D+01
      2  -0.118392D+01  0.382663D+01 -0.239639D+01  0.353967D+00 -0.317350D+01
      3   0.446263D+00  0.534812D+01 -0.837766D+00  0.108373D+02  0.479603D+01
      4  -0.149548D+02 -0.489526D+01 -0.153451D+02 -0.839389D+01 -0.112634D+02
      5  -0.283895D+01 -0.178051D+01 -0.152206D+01 -0.125883D+02 -0.775370D+01
      6  -0.469464D+01 -0.858681D+00 -0.503216D+01 -0.528906D+01 -0.349965D+01
                16            17            18            19            20 
      1  -0.106009D+02 -0.139284D+01  0.265854D+01 -0.816072D+01 -0.627450D+01
      2   0.410516D+01 -0.189986D+01 -0.209828D+01  0.763249D+01  0.729005D+01
      3   0.649569D+01  0.329271D+01 -0.560266D+00  0.528237D+00 -0.101555D+01
      4  -0.292819D+01 -0.913510D+01 -0.105056D+02  0.484971D+01  0.141325D+00
      5  -0.282686D+01 -0.959799D+01  0.811542D+01  0.929093D-01 -0.114716D+01
      6  -0.170798D+01 -0.516465D+01 -0.337878D+00  0.453786D+01  0.435466D+01
                21            22            23            24            25 
      1   0.541573D+00 -0.356731D+01  0.307730D+01 -0.429723D+01  0.414644D+01
      2   0.967017D-01  0.353805D+01 -0.938199D+00 -0.498157D+01 -0.192103D+00
      3  -0.638275D+00  0.292542D-01 -0.213910D+01  0.927880D+01 -0.395434D+01
      4   0.651711D+00 -0.470129D+01  0.807296D+01  0.117262D+01 -0.118467D+01
      5  -0.693178D+00 -0.164995D+01  0.245737D+01  0.400073D+01  0.167795D+01
      6   0.299394D+01  0.157147D+01  0.187733D+00 -0.576672D+01 -0.923256D+00
                26            27            28            29            30 
      1  -0.591602D+01  0.769993D+01 -0.393656D+01  0.120653D+01  0.132995D-01
      2  -0.159502D+01  0.130523D+02  0.603940D+00 -0.116051D+01  0.662386D+01
      3   0.751103D+01 -0.207522D+02  0.333262D+01 -0.460245D-01 -0.663716D+01
      4   0.313966D+01 -0.276479D+01  0.272188D+01  0.230916D+01  0.987828D+00
      5  -0.752683D+00 -0.752658D+00 -0.620081D+01  0.303708D+01 -0.146486D+01
      6   0.230940D+01  0.535384D+01 -0.193918D+01 -0.210472D+01  0.152829D+01
                31            32            33            34            35 
      1   0.507634D+01  0.184882D+02  0.351643D+00 -0.100680D+02  0.496571D+01
      2  -0.532959D+01 -0.340000D+02 -0.390915D-01  0.847469D+01 -0.642198D+00
      3   0.253249D+00  0.155118D+02 -0.312551D+00  0.159328D+01 -0.432351D+01
      4  -0.137043D+02 -0.158647D+02  0.372652D+01  0.351895D+01 -0.275165D+00
      5   0.554000D+01  0.623590D+01 -0.101010D+01  0.704777D+00  0.142718D+01
      6   0.467512D+00  0.244997D+01 -0.109693D+02 -0.800087D+00  0.106674D+01
                36            37            38            39            40 
      1  -0.343604D+00  0.344780D+02 -0.196031D+01  0.689478D+01  0.318429D+01
      2  -0.218201D+01 -0.225177D+02  0.132187D+01 -0.916942D+01 -0.221662D+01
      3   0.252561D+01 -0.119603D+02  0.638437D+00  0.227465D+01 -0.967669D+00
      4   0.931194D+00 -0.233219D+01  0.827555D+01  0.416032D+00  0.127742D+02
      5  -0.741930D+01  0.139380D+02 -0.114405D+01  0.139482D+02  0.278902D+01
      6  -0.982550D+00  0.680708D+00  0.107494D+01 -0.220729D+01  0.125855D+00
                41            42            43            44            45 
      1   0.588644D+01  0.469508D+01  0.102484D+02  0.229403D+00  0.285646D+01
      2  -0.182889D+01 -0.389221D+01 -0.102950D+02  0.731444D+00 -0.149937D+02
      3  -0.405756D+01 -0.802866D+00  0.465202D-01 -0.960847D+00  0.121372D+02
      4   0.942532D+01  0.539255D+01 -0.210962D+01  0.404348D+01 -0.790395D+00
      5   0.597993D+01  0.321515D+01  0.155862D+02 -0.190934D+01  0.169766D+02
      6  -0.154366D+01  0.483637D+01  0.250262D+00  0.451623D+01 -0.317930D+00
                46            47            48            49            50 
      1  -0.381405D+02  0.493361D+01  0.170401D+02 -0.169113D+01  0.164701D+02
      2   0.202587D+02 -0.963942D+01 -0.959473D+01 -0.563761D+01 -0.103667D+02
      3   0.178818D+02  0.470581D+01 -0.744537D+01  0.732873D+01 -0.610342D+01
      4   0.529646D+01  0.118086D+02 -0.216190D+01  0.129719D+02 -0.358650D+01
      5   0.123332D+02  0.442466D+00 -0.706158D+00  0.108042D+01  0.995612D+01
      6  -0.503557D+01 -0.255348D-01  0.578082D+00  0.648088D+00 -0.455762D+01
                51            52            53            54            55 
      1   0.304476D+01  0.209892D+02  0.159149D+01  0.414074D+01  0.110734D+02
      2  -0.901684D+01 -0.967429D+01 -0.866824D+01  0.644498D+01 -0.526951D+01
      3   0.597207D+01 -0.113149D+02  0.707675D+01 -0.105857D+02 -0.580386D+01
      4   0.614301D+01 -0.202020D+01  0.469677D+01  0.951419D+01 -0.397218D+01
      5   0.914848D+01 -0.400651D+01  0.105000D+02 -0.259599D+02  0.518449D+01
      6  -0.369735D+01  0.224774D+01 -0.417471D+01  0.125340D+02 -0.803808D+01
                56            57            58            59            60 
      1   0.113651D+02  0.208886D+01  0.804819D+01  0.167534D+01  0.255687D+01
      2  -0.195404D+02 -0.576556D+01 -0.151037D+02  0.467960D+01 -0.306585D+01
      3   0.817525D+01  0.367670D+01  0.705548D+01 -0.635494D+01  0.508973D+00
      4   0.253854D+01 -0.506036D+01  0.662274D+01 -0.174049D+02  0.261326D+01
      5  -0.326295D+01 -0.998123D+00 -0.208593D+01 -0.208325D+01 -0.328269D+00
      6  -0.254969D+01  0.597548D+01 -0.952633D+00 -0.443489D+01  0.400004D+01
                61            62            63            64            65 
      1  -0.346754D+00  0.295953D+01 -0.396815D+01  0.290435D+01  0.635900D+01
      2  -0.299320D+01 -0.509303D+01 -0.115014D+01  0.499402D+01 -0.235624D+01
      3   0.333996D+01  0.213350D+01  0.511830D+01 -0.789838D+01 -0.400276D+01
      4  -0.686746D+01  0.545382D+01  0.924833D+01  0.683268D+01  0.158275D+02
      5  -0.553137D+01  0.456958D+01  0.912360D+01 -0.149919D+01 -0.207689D+01
      6   0.109216D+02 -0.301472D+01 -0.691197D+01 -0.838374D+00 -0.116511D+01
                66            67            68            69            70 
      1  -0.629603D-01  0.397244D+01 -0.341951D+02  0.273585D+01  0.709693D+00
      2  -0.106988D+01  0.971444D+00  0.633658D+02 -0.301221D+01 -0.184127D+01
      3   0.113284D+01 -0.494388D+01 -0.291707D+02  0.276354D+00  0.113157D+01
      4  -0.171807D+01  0.207444D+02  0.316922D+02 -0.384302D+01 -0.183175D+01
      5   0.450074D+01 -0.146656D+01 -0.728588D+01  0.726723D+01  0.468377D+01
      6   0.100707D+01 -0.208414D+01 -0.444951D+01  0.174709D+02  0.178041D+01
                71            72            73            74            75 
      1   0.914868D-03 -0.766015D+01  0.489188D+00  0.384070D+00 -0.518201D+00
      2  -0.126727D+01  0.619799D+01 -0.502296D+01  0.856783D-01 -0.822539D+00
      3   0.126636D+01  0.146216D+01  0.453377D+01 -0.469748D+00  0.134074D+01
      4  -0.172381D+01  0.648906D+01  0.120004D+00  0.156010D+01 -0.627718D+00
      5   0.718925D+01 -0.256128D+01  0.106348D+01 -0.156416D+01  0.636143D+01
      6   0.153606D+02 -0.231561D+01 -0.198567D+01  0.261525D-01 -0.113194D+00
                76            77            78            79            80 
      1   0.253726D+00 -0.408519D+01  0.434273D+01 -0.404765D+00  0.321721D+01
      2   0.841457D+00 -0.157481D+01  0.419197D+01 -0.160591D+01  0.462536D+01
      3  -0.109518D+01  0.566000D+01 -0.853469D+01  0.201068D+01 -0.784257D+01
      4   0.216175D+01  0.789122D+00 -0.234662D+00 -0.876603D-02 -0.177190D+01
      5  -0.116302D+01  0.306590D+00 -0.128523D+00  0.507093D+01  0.934776D-01
      6   0.736290D+00 -0.436254D+01  0.803640D+01 -0.862967D+00  0.612469D+01
                81            82            83            84            85 
      1  -0.183024D+02  0.100638D+02  0.523539D+01  0.509148D+01  0.412452D+01
      2  -0.187818D+02 -0.243474D+01 -0.269850D+00 -0.208850D+01  0.163286D+01
      3   0.370842D+02 -0.762910D+01 -0.496554D+01 -0.300298D+01 -0.575737D+01
      4   0.939052D+00  0.127346D+02  0.140502D+02  0.593220D+01  0.147149D+02
      5  -0.281716D+00  0.866807D+01  0.523413D+01  0.758928D+01  0.530419D+01
      6  -0.494072D+01  0.465776D+01  0.397086D+01  0.363343D+01  0.455233D+01
                86            87            88            89            90 
      1  -0.249064D+00 -0.862709D-01  0.426008D+01 -0.103739D+01 -0.396132D+00
      2   0.104150D+02  0.345254D+01 -0.239001D+01  0.181976D+01 -0.128379D+01
      3  -0.101660D+02 -0.336627D+01 -0.187008D+01 -0.782368D+00  0.167992D+01
      4   0.216833D+02  0.928521D+01  0.536837D+01  0.879071D+01  0.917411D+01
      5   0.878914D+01  0.775317D+01  0.839343D+01  0.832297D+01  0.874141D+01
      6   0.106610D+02  0.851018D+01  0.408909D+01  0.919720D+01  0.804886D+01
                91            92            93            94            95 
      1   0.227631D+01 -0.293104D+01 -0.490931D+00 -0.102304D+02 -0.318690D+01
      2   0.660514D-01  0.613576D+00  0.193106D+01  0.633274D+01  0.287511D+01
      3  -0.234236D+01  0.231746D+01 -0.144013D+01  0.389769D+01  0.311789D+00
      4  -0.474405D+01  0.939913D+00 -0.193976D+01  0.114705D+01 -0.152558D+02
      5  -0.720563D+00 -0.196181D+01 -0.439010D+00 -0.702566D+01 -0.103229D+01
      6  -0.548055D+00  0.175931D+01 -0.645484D+00  0.350261D+01 -0.175731D+01
                96            97            98            99           100 
      1  -0.481526D+01 -0.272572D+01 -0.107965D+01 -0.193515D+01 -0.492525D+01
      2   0.568927D+01  0.215184D+01  0.111218D+00  0.201105D+01  0.829724D+01
      3  -0.874014D+00  0.573880D+00  0.968434D+00 -0.758971D-01 -0.337199D+01
      4   0.362530D+00 -0.308433D+01 -0.614159D-01 -0.266872D+01  0.754968D+01
      5  -0.766290D+01  0.130546D+00 -0.286309D+01  0.575120D+00  0.306529D+01
      6   0.289216D+01  0.188256D+00  0.265614D+01 -0.262213D+01  0.226232D+01
               101           102           103           104           105 
      1  -0.114716D+02 -0.207227D+01 -0.754339D+01 -0.199139D+02 -0.411699D+01
      2   0.176567D+02  0.151503D+01  0.106397D+02  0.304567D+02  0.352674D+01
      3  -0.618516D+01  0.557245D+00 -0.309634D+01 -0.105428D+02  0.590246D+00
      4   0.729979D+01  0.299636D+00  0.698928D+01  0.557930D+01 -0.883294D-02
      5   0.250031D+01  0.983287D+00  0.265735D+01  0.207757D+01 -0.686165D+00
      6   0.676000D+01  0.324849D+01  0.335344D+01  0.112498D+02  0.675266D+01
               106           107           108           109           110 
      1   0.960251D+00 -0.200693D+01 -0.170113D+01  0.424466D+01  0.760541D+00
      2  -0.385755D+00  0.186957D+01  0.186963D+01 -0.442646D+01 -0.140143D+01
      3  -0.574496D+00  0.137353D+00 -0.168499D+00  0.181801D+00  0.640888D+00
      4   0.226446D+00 -0.243037D+00  0.307932D+00 -0.122777D+02  0.792614D+01
      5   0.223523D+01  0.133356D+00  0.579313D+00 -0.131597D+02  0.640972D+01
      6  -0.572613D-01  0.541171D+01  0.190904D+01  0.104096D+02 -0.753895D+01
               111           112           113           114           115 
      1  -0.404537D+00  0.110346D+01 -0.371356D+01 -0.292254D+01  0.465334D+00
      2   0.409892D+01 -0.196140D+01  0.418633D+01  0.305085D+01  0.420563D+01
      3  -0.369439D+01  0.857936D+00 -0.472766D+00 -0.128313D+00 -0.467096D+01
      4   0.878832D+01  0.581840D+01 -0.506872D+01 -0.442233D+01  0.103894D+02
      5   0.123676D+02  0.267097D+01 -0.447062D+01 -0.305243D+01  0.137952D+02
      6  -0.121012D+02 -0.497418D+01  0.712861D+01  0.789951D+01 -0.125644D+02
               116           117           118           119           120 
      1  -0.455406D+01 -0.417778D+01  0.685587D+02 -0.630359D+01 -0.107005D+02
      2   0.259562D+01 -0.445448D+01 -0.338655D+02  0.136180D+01  0.550770D+01
      3   0.195844D+01  0.863226D+01 -0.346932D+02  0.494179D+01  0.519278D+01
      4  -0.723044D+01 -0.107949D+02 -0.174603D+02  0.106534D+02  0.223964D+01
      5  -0.715854D+01 -0.145147D+02 -0.599138D+01  0.214204D-01  0.103636D+02
      6   0.118932D+02  0.161883D+02  0.334683D+01 -0.421533D-01 -0.315044D+01
               121           122           123           124           125 
      1   0.317134D+01  0.546469D+01 -0.863623D+00 -0.167933D+02  0.159372D+01
      2  -0.337353D+01 -0.106416D+01  0.167653D+01  0.861270D+01  0.789937D+00
      3   0.202185D+00 -0.440053D+01 -0.812907D+00  0.818059D+01 -0.238366D+01
      4   0.859567D+01 -0.139523D+01 -0.294932D+01  0.496993D+01 -0.424582D+01
      5  -0.827531D-02 -0.253775D+01  0.362043D+00  0.112352D+02 -0.194224D+01
      6  -0.283795D+00  0.100870D+01  0.126520D+01 -0.299258D+01  0.170892D+01
               126           127           128           129           130 
      1   0.845782D+01 -0.150593D+01 -0.555246D+01 -0.396609D+01 -0.737021D+01
      2  -0.617983D+01  0.313848D+01  0.681430D+01  0.277436D+01  0.637274D+01
      3  -0.227799D+01 -0.163255D+01 -0.126184D+01  0.119172D+01  0.997469D+00
      4  -0.298697D+01  0.124823D+01 -0.270748D+01  0.919490D+00  0.275035D+01
      5  -0.420889D+01 -0.286040D+01 -0.818906D+00 -0.189874D+01 -0.169612D+01
      6   0.680849D+00  0.185198D+01  0.641382D+00  0.216667D+01  0.873787D+00
               131           132           133           134           135 
      1  -0.155908D+02 -0.457992D+01 -0.597654D+01 -0.430463D+01 -0.542355D+01
      2   0.254539D+02  0.730006D+01  0.320915D+01  0.770199D+01  0.367951D+01
      3  -0.986311D+01 -0.272014D+01  0.276739D+01 -0.339736D+01  0.174403D+01
      4  -0.148822D+02 -0.338985D+01  0.267678D+01 -0.633109D+01 -0.386584D+01
      5  -0.543640D+01 -0.636917D+01  0.218986D+00 -0.546612D+01 -0.181547D+01
      6   0.437043D+01  0.624561D+01  0.835065D+00  0.625668D+01  0.334516D+01
               136           137           138           139           140 
      1   0.553137D+01 -0.222926D+01  0.398118D+01 -0.194231D+00 -0.485310D+01
      2  -0.497955D+01  0.176478D+01 -0.282032D+01  0.466143D+00  0.312867D+01
      3  -0.551811D+00  0.464482D+00 -0.116086D+01 -0.271912D+00  0.172443D+01
      4  -0.315355D+01  0.150956D+01 -0.315377D+01  0.251807D+01 -0.486183D+01
      5   0.551098D+01 -0.256569D+01  0.830910D+01 -0.242675D+01  0.573674D+01
      6  -0.219060D+01  0.908584D+00 -0.172567D+01  0.188809D+01 -0.538186D+01
               141           142           143           144           145 
      1   0.238917D+01  0.524507D+01  0.228181D+01 -0.956870D+01  0.338551D+02
      2  -0.129007D+01 -0.520266D+01 -0.587967D-01 -0.136432D+02 -0.231574D+02
      3  -0.109910D+01 -0.424124D-01 -0.222301D+01  0.232119D+02 -0.106977D+02
      4   0.611221D+01 -0.629588D+01  0.865995D+01 -0.931893D+01  0.156807D+02
      5  -0.664620D+01  0.132707D+02 -0.110223D+02  0.370880D+02 -0.340575D+02
      6   0.959206D+01 -0.390447D+01  0.105950D+02 -0.193119D+02 -0.696856D+01
               146           147           148           149           150 
      1   0.319158D+01 -0.970353D+01  0.224712D+01  0.148627D+01 -0.406274D+00
      2  -0.153601D+01  0.128827D+02 -0.547179D+00 -0.472806D+00 -0.844503D+00
      3  -0.165557D+01 -0.317914D+01 -0.169994D+01 -0.101347D+01  0.125078D+01
      4   0.904475D+01 -0.771716D+01  0.833886D+01  0.446063D+01 -0.474678D+01
      5  -0.579308D+01  0.226798D+02 -0.358657D+01 -0.514602D+01  0.222918D+01
      6  -0.495702D+01  0.609104D+01 -0.398418D+01 -0.336815D+01  0.499219D+01
               151           152           153           154           155 
      1  -0.557451D+01 -0.632167D+00  0.439169D+01 -0.445237D+01  0.850837D+01
      2   0.920240D+01  0.424238D+00 -0.992427D+01  0.404218D+01 -0.838616D+01
      3  -0.362788D+01  0.207929D+00  0.553258D+01  0.410186D+00 -0.122215D+00
      4  -0.500593D+01 -0.318760D+01  0.446508D+01 -0.142489D+01  0.148051D+01
      5   0.176016D+02  0.300930D+01 -0.150706D+02  0.170280D+01 -0.330858D+01
      6   0.457120D+01  0.406145D+01 -0.392112D+01 -0.500704D+01  0.818168D+01
               156           157           158           159           160 
      1  -0.651446D+01  0.775682D+01 -0.207070D+02  0.860141D+01 -0.373515D+01
      2   0.125541D+01 -0.792814D+01  0.229548D+02 -0.404157D+01  0.641428D+00
      3   0.525905D+01  0.171323D+00 -0.224780D+01 -0.455985D+01  0.309372D+01
      4  -0.519178D+00  0.249101D+01  0.639321D+01 -0.376091D+01 -0.650504D+00
      5   0.184841D+01 -0.447904D+01  0.631219D+00  0.209701D+01  0.271301D+01
      6  -0.500058D+01  0.595279D+01 -0.202798D+02  0.129142D+02 -0.368379D+01
               161           162           163           164           165 
      1   0.623994D+01 -0.732533D+01 -0.206531D+01 -0.130818D+01 -0.670319D+01
      2  -0.277262D+01  0.256985D+01 -0.232610D+01 -0.209711D+01 -0.159450D+01
      3  -0.346732D+01  0.475548D+01  0.439141D+01  0.340529D+01  0.829768D+01
      4  -0.169458D+01  0.243183D+00  0.126514D+00 -0.868297D+00 -0.131274D+01
      5   0.373472D-01  0.894861D+00  0.528989D+00  0.195393D+01  0.315190D+01
      6   0.105650D+02 -0.669023D+01  0.199146D+01  0.484360D+01  0.198835D+01
               166           167           168           169           170 
      1  -0.269969D+01 -0.797928D+01 -0.793698D+01 -0.483555D+01 -0.497833D+01
      2  -0.708485D+00  0.105373D+00 -0.592088D+01 -0.723179D+00 -0.448776D+01
      3   0.340818D+01  0.787390D+01  0.138579D+02  0.555873D+01  0.946609D+01
      4  -0.774071D+00 -0.570563D+01 -0.372028D+01 -0.136658D+01 -0.317790D+01
      5   0.360778D+01  0.213546D+00 -0.396927D+01  0.434626D+01 -0.583675D+00
      6   0.413472D+01  0.105934D+02  0.811581D+01  0.214128D+01  0.774970D+01
               171 
      1  -0.103347D+02
      2  -0.821512D+01
      3   0.185498D+02
      4  -0.302961D+01
      5  -0.242016D+01
      6   0.673911D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.204740D+01      0.520398D+01      0.173586D+02
   x         -0.742876D+00     -0.188820D+01     -0.629836D+01
   y         -0.176742D+01     -0.449234D+01     -0.149848D+02
   z         -0.718479D+00     -0.182619D+01     -0.609152D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.739690D+02      0.109611D+02      0.121958D+02
   aniso      0.105659D+02      0.156571D+01      0.174208D+01
   xx         0.760945D+02      0.112760D+02      0.125463D+02
   yx        -0.269603D+01     -0.399510D+00     -0.444515D+00
   yy         0.776510D+02      0.115067D+02      0.128029D+02
   zx         0.143289D+01      0.212332D+00      0.236252D+00
   zy        -0.141107D+01     -0.209099D+00     -0.232654D+00
   zz         0.681616D+02      0.101005D+02      0.112383D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.778583D+02      0.115374D+02      0.128371D+02
   aniso      0.107012D+02      0.158576D+01      0.176439D+01
   xx         0.799369D+02      0.118454D+02      0.131798D+02
   yx        -0.264657D+01     -0.392181D+00     -0.436360D+00
   yy         0.815930D+02      0.120908D+02      0.134529D+02
   zx         0.165516D+01      0.245269D+00      0.272899D+00
   zy        -0.154807D+01     -0.229400D+00     -0.255242D+00
   zz         0.720449D+02      0.106760D+02      0.118786D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -2.73937377          2.23904352          1.08554495
     6         -1.88117418         -0.48059512          1.56439485
     6          0.94787025         -0.89168078          0.95010925
     6          1.52651926         -0.12322908         -1.78993980
     8          2.72797093          2.09429922         -2.00600709
     6         -3.56855114         -2.36908427          0.18026249
     7          2.54514824          0.60022698          2.66665461
     8          0.91617865         -1.36785827         -3.58759808
     1          1.33338913         -2.91683820          1.07931053
     1         -2.04641477         -0.86202224          3.59590872
     1          3.05019176          2.64619004         -0.25996411
     1          1.69156950          0.88348038          4.35454103
     1          4.22221412         -0.26015093          2.99461459
     1         -5.53150114         -2.11445910          0.75958720
     1         -3.45026046         -2.11393361         -1.85900059
     1         -3.02295168         -4.31304637          0.60144336
     1         -4.67885243          2.49392422          1.73581253
     1         -1.55771060          3.61399592          2.06654837
     1         -2.69062861          2.68301590         -0.92875161

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.204740D+01      0.520398D+01      0.173586D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.204740D+01      0.520398D+01      0.173586D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.739690D+02      0.109611D+02      0.121958D+02
   aniso      0.105659D+02      0.156571D+01      0.174208D+01
   xx         0.750862D+02      0.111266D+02      0.123800D+02
   yx         0.493121D+01      0.730731D+00      0.813047D+00
   yy         0.727223D+02      0.107763D+02      0.119903D+02
   zx         0.353219D+00      0.523417D-01      0.582379D-01
   zy         0.337069D+01      0.499485D+00      0.555752D+00
   zz         0.740985D+02      0.109803D+02      0.122172D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.778583D+02      0.115374D+02      0.128371D+02
   aniso      0.107012D+02      0.158576D+01      0.176439D+01
   xx         0.787500D+02      0.116695D+02      0.129841D+02
   yx         0.506569D+01      0.750657D+00      0.835219D+00
   yy         0.768000D+02      0.113806D+02      0.126626D+02
   zx         0.248805D+00      0.368691D-01      0.410224D-01
   zy         0.338784D+01      0.502026D+00      0.558579D+00
   zz         0.780248D+02      0.115621D+02      0.128646D+02

 ----------------------------------------------------------------------
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 Any fool can criticize, condemn, and complain -- and most do.
 -- Dale Carnegie
 Job cpu time:       0 days  2 hours  5 minutes 31.3 seconds.
 Elapsed time:       0 days  0 hours 15 minutes 44.4 seconds.
 File lengths (MBytes):  RWF=    228 Int=      0 D2E=      0 Chk=      8 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 22:04:06 2021.
